AG002C9V

199666-03-0 | Benzenesulfonamide, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]-

AG002C9V

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CAS Number	199666-03-0
Catalog Number	AG002C9V(AGN-PC-0LPKJJ)
Chemical Name	Benzenesulfonamide, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]-
IUPAC Name	3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
InChI	InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
InChI Key	NDPBMCKQJOZAQX-UHFFFAOYSA-N
MDL Number	MFCD11040807
Molecular Formula	C17H15N3O6S2
Molecular Weight	421.4475
SMILES	O=S(C1=CC=C(OC)C(OC)=C1)(NC2=NC(C3=CC=CC([N+]([O-])=O)=C3)=CS2)=O
Synonyms	Ro 61-8048, Ro-61-8048, Ro-61-8048 sulfonamide, Ro 61-8048, 199666-03-0, 3,4-dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide, Ro61-8048, Ro-61-8048, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, CHEMBL134915, AC1NQZWG, CHEBI:34953, C14126, 3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide, MFCD11040807, 3,4-Dimethoxy-N-[4-(3-nitrophenyl)thiazol-2-yl]benzenesulfonamide, C17H15N3O6S2, 7ZR, SCHEMBL424256, CTK0H9148, KS-00001CWE, AOB1234, DTXSID20415218, EX-A805, SYN5225, NDPBMCKQJOZAQX-UHFFFAOYSA-N, BCP07470, ZINC1546077, 4013AH, BDBM50061916, s8172, AKOS024457509, CCG-222062, CS-3332, NE62855, SB19626, NCGC00370730-07, 4CA-1104, AK312615, AS-16581, BC600576, DA-43342, HY-12347, SC-67582, RT-015426, B7334, FT-0700256, EC-000.2437, Ro 61-8048, >=98% (HPLC), J-012900, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-y, 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]-benzenesulfonamide, 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide, Benzenesulfonamide, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]-, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide, Ro-61-8048 sulfonamide, CID5282337, A12833, C110196,

Complexity	638
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	421.04g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	421.442g/mol
Monoisotopic Mass	421.04g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	160A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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