AG00I99E

51803-78-2 | Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-

AG00I99E

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CAS Number	51803-78-2
Catalog Number	AG00I99E(AGN-PC-0JK6WH)
Chemical Name	Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-
EC Number	257-431-4
IUPAC Name	N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
InChI	InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChI Key	HYWYRSMBCFDLJT-UHFFFAOYSA-N
MDL Number	MFCD00079470
Molecular Formula	C13H12N2O5S
Molecular Weight	308.3098
NSC Number	758412
SMILES	CS(=O)(NC1=CC=C([N+]([O-])=O)C=C1OC2=CC=CC=C2)=O
UNII	V4TKW1454M
Synonyms	4-nitro-2-phenoxymethanesulfonanilide, Antifloxil, Aulin, Eskaflam, Guaxan, lizepat, Mesulid, Nexen, Nimesil, nimesulide, R 805, R-805, Redaflam, nimesulide, 51803-78-2, N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide, Mesulid, Flogovital, Sulidene, Nimed, R-805, 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, Nisulid, Nimesulidum [INN-Latin], Nimesulida [INN-Spanish], R 805, UNII-V4TKW1454M, 4-Nitro-2-phenoxy-methanesulfonanilide, 4'-Nitro-2'-phenoxymethanesulfonanilide, Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-, EINECS 257-431-4, 4'-Nitro-2'-phenoxymethansulfonanilid, BRN 2421175, CHEMBL56367, MLS000069680, V4TKW1454M, Methanesulfonanilide, 4'-nitro-2'-phenoxy-, CHEBI:44445, HYWYRSMBCFDLJT-UHFFFAOYSA-N, MFCD00079470, NCGC00015725-02, SMR000058484, CAS-51803-78-2, N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide, N-[4-Nitro-2-phenoxyphenyl]-methanesulfonamide, DSSTox_CID_17250, DSSTox_RID_79316, DSSTox_GSID_37250, W-105866, C13H12N2O5S, Antifloxil, Nimesulida, Nimesulidum, Guaxan, NIM, Nimesulide [BAN:INN], Nimesulide [INN:BAN], SR-01000000218, nimesulin, Aldoron, Nimedex, Orthobid, CCRIS 8225, Nise Gel, Nimesulide,(S), Prestwick_618, Spectrum_001577, Nimesulide (JAN/INN), AC1L1IAM, Opera_ID_1247, Prestwick0_000194, Prestwick1_000194, Prestwick2_000194, Prestwick3_000194, Spectrum2_001541, Spectrum3_001576, Spectrum4_000178, Spectrum5_000964, Lopac-N-1016, Lopac0_000855, SCHEMBL24882, BSPBio_000147, BSPBio_001103, BSPBio_003112, KBioGR_000443, KBioGR_000695, KBioSS_000443, KBioSS_002057, MLS001148268, DivK1c_000693, SPECTRUM1503231, SPBio_001382, SPBio_002068, N-(4-nitro-2-phenoxyphenyl), BPBio1_000163, GTPL7401, NIM-03, DTXSID3037250, BCBcMAP01_000034, HMS502C15, KBio1_000693, KBio2_000443, KBio2_002057, KBio2_003011, KBio2_004625, KBio2_005579, KBio2_007193, KBio3_000825, KBio3_000826, KBio3_002612, NINDS_000693, Bio2_000382, Bio2_000862, HMS1362G05, HMS1568H09, HMS1792G05, HMS1922K17, HMS1990G05, HMS2089B14, HMS2095H09, HMS2234K19, HMS3262L11, HMS3269G17, HMS3371J19, HMS3403G05, HMS3649A04, HMS3655D13, HMS3678P07, HMS3712H09, Pharmakon1600-01503231, BCP10076, HY-B0363, ZINC4617749, Tox21_110207, Tox21_301850, Tox21_500855, BDBM50056999, CCG-39319, CN0038, EI-287, NSC758412, s2040, STL018679, AKOS015897356, Tox21_110207_1, AC-4524, CS-2420, DB04743, KS-1277, LP00855, MCULE-4217888990, NSC-758412, IDI1_000693, IDI1_002137, NCGC00015725-01, NCGC00015725-03, NCGC00015725-04, NCGC00015725-05, NCGC00015725-06, NCGC00015725-07, NCGC00015725-08, NCGC00015725-09, NCGC00015725-10, NCGC00015725-11, NCGC00015725-12, NCGC00015725-13, NCGC00015725-15, NCGC00015725-16, NCGC00021842-03, NCGC00021842-04, NCGC00021842-05, NCGC00021842-06, NCGC00021842-07, NCGC00021842-08, NCGC00255661-01, NCGC00261540-01, AK163559, AN-11869, BC204061, LS-90290, SC-17925, SBI-0050831.P003, AB2000444, AB00052332, EU-0100855, FT-0630650, N0984, ST51015069, SW196785-3, (methylsulfonyl)(4-nitro-2-phenoxyphenyl)amine, D01049, N 1016, AB00052332-16, AB00052332_17, AB00052332_18, n-(4-nitro-2-phenoxy-phenyl)-methanesulfonamide, N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide, 803N782, A828786, SR-01000000218-2, SR-01000000218-6, SR-01000000218-7, BRD-K76775527-001-06-2, BRD-K76775527-001-18-7, SR-01000000218-11, Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)- (9CI), Nimesulide, European Pharmacopoeia (EP) Reference Standard, Nimesulide, Pharmaceutical Secondary Standard; Certified Reference Material, Nimesulide for peak identification, European Pharmacopoeia (EP) Reference Standard, Aulin, lizepat, mesulide, nimsulid, null, sulidan, sulide, Dulanermin, Eskaflam, Redaflam, Nimesil, Nexen, Methanesulfonamide, D03SJA, D0C0JT, CID4495, C13-H12-N2-O5-S, CS-O-01950, R805, B1452, A11694, Metanosulfonamida, N-(4-nitro-2-fenoxifenil)-, C012655,

Complexity	450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.047g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	308.308g/mol
Monoisotopic Mass	308.047g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number