AG0035EW

123653-11-2 | N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide

AG0035EW

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CAS Number	123653-11-2
Catalog Number	AG0035EW(AGN-PC-0JK6XD)
Chemical Name	N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
IUPAC Name	N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
InChI	InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChI Key	KTDZCOWXCWUPEO-UHFFFAOYSA-N
MDL Number	MFCD00882995
Molecular Formula	C13H18N2O5S
Molecular Weight	314.3574
SMILES	C1(CCCCC1)OC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C
Synonyms	N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide, NS 398, NS-398, NS398, ns-398, 123653-11-2, NS 398, NS398, N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide, N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide, CHEMBL7162, CHEBI:73458, n-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide, NS-398 (NS398), Methanesulfonamide, N-(2-(cyclohexyloxy)-4-nitrophenyl)-, N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide, Taisho NS 398, SR-01000597479, N-[2-Cyclohexyloxy-4-nitrophenyl]methanesulfonamide, N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide, CCRIS 8523, KTDZCOWXCWUPEO-UHFFFAOYSA-N, Tocris-0942, AC1L1IF7, AC1Q20LP, BSPBio_001264, KBioGR_000604, KBioSS_000604, ns-398-ns398, SCHEMBL214213, GTPL8976, DTXSID8041084, CTK5I2974, KBio2_000604, KBio2_003172, KBio2_005740, KBio3_001067, KBio3_001068, KS-00000GUE, Bio2_000472, Bio2_000952, HMS1362P05, HMS1792P05, HMS1990P05, HMS3403P05, HMS3649O13, BCP18285, EX-A2402, ZINC3791739, BDBM50029593, BS0126, IN1319, MFCD00882995, NS 398;NS398, s8433, AKOS015900136, AKOS015965848, CS-5335, IDI1_002227, NCGC00024892-01, NCGC00024892-02, NCGC00024892-03, AK546497, HY-13913, LS-90104, NS-398, >=98% (HPLC), solid, RT-014762, B6514, FT-0719317, A13116, J-004968, SR-01000597479-1, SR-01000597479-2, BRD-K53364951-001-02-6, I14-10018, n-[2-(cyclohexyloxy)-4-nitrophenyl]-methanesulfonamide, N-[2-(cyclohexyloxy)-4-nitrophenyl]methane sulfonamide, N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide(NS-398), N-[2-(CYCLOHEXYLOXY)-4-NITROPHENYL]METHANE-SULFONAMIDE, N-{2-(cyclohexyloxy)-4-[hydroxy(oxido)amino]phenyl}methanesulfonamide, NS4, D09BKE, C13H18N2O5S, CID4553, AR-1K3665, C13-H18-N2-O5-S, C080955, 1997-73-5,

Complexity	450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.094g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	314.356g/mol
Monoisotopic Mass	314.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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