AG0037G8

443797-96-4 | 4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide

AG0037G8

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CAS Number	443797-96-4
Catalog Number	AG0037G8(AGN-PC-0LQ503)
Chemical Name	4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
IUPAC Name	4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
InChI	InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
InChI Key	KDKUVYLMPJIGKA-UHFFFAOYSA-N
MDL Number	MFCD11100270
Molecular Formula	C15H12F2N6O3S
Molecular Weight	394.3560
SMILES	Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F
UNII	74GK72DON8
Synonyms	JNJ-7706621, JNJ-7706621, 443797-96-4, JNJ7706621, 4-((5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)benzenesulfonamide, UNII-74GK72DON8, RWJ-387252, 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide, 4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide, 74GK72DON8, CHEMBL191003, JNJ 7706621, 4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylamino)benzenesulfonamide, 4-({5-Amino-1-[(2,6-Difluorophenyl)carbonyl]-1h-1,2,4-Triazol-3-Yl}amino)benzenesulfonamide, 3ama, 4-{[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino}benzenesulfonamide, 4-{[5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino}benzenesulfonamide, KDKUVYLMPJIGKA-UHFFFAOYSA-N, SKE, JNJ-770662, Kinome_3748, PubChem22455, AC1NS9N9, MLS006011037, BDBM6866, GTPL5932, SCHEMBL1060773, C15H12F2N6O3S, CHEBI:94506, cid_5330790, CTK1D4880, KS-00001CRB, DTXSID40416207, SYN1048, BCPP000198, HMS3244O15, HMS3244O16, HMS3244P15, HMS3654J07, AOB87730, BCP01836, EX-A1979, ZINC3938688, ABP000841, RS0016, s1249, AKOS016009412, AN-6639, BCP9000805, CS-0179, SB19461, Benzenesulfonamide, 4-((5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)-, NCGC00263151-01, NCGC00263151-08, 1H-1,2,4-Triazole-3,5-diamine, N3-(4-(aminosulfonyl)phenyl)-1-(2,6-difluorobenzoyl)- 4-((5-amino-1-(2,6-difluorobenzoyl)-1H-(1,2,4)triazol-3-yl)amino)benzenesulfonamide, AJ-47458, AK111497, AS-16208, BC659985, HY-10329, QC-11795, SMR004702830, AX8219139, A4115, FT-0706504, SW219396-1, X7429, A19402, JNJ-7706621,JNJ7706621, JNJ7706621/JNJ-7706621, W-5470, 797A964, J-513580, BRD-K11636097-001-01-5, 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b, JNJ7706621, 443797-96-4, 4-[[5-amino-1-(2,6-difluorobenzoyl)-1h-1,2,4-triazol-3-yl]amino]-benzenesulfonamide, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide, JNJ-7706621; 4-(5-Amino-1-(2,6-difluorobenzoyl)-1H-[1,2,4]triazol-3-ylamino)-benzenesulfonamide, D04NGS, Aurora Kinase/Cdk Inhibitor, cc-474, CID5330790, A10494, 4-[5-amino-1-(2,6-difluorobenzoyl)-1H-[1,2,4]triazol-3-ylamino]-benzenesulfonamide, 4-5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylaminobenzenesulfonamide,

Complexity	630
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	394.066g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	394.357g/mol
Monoisotopic Mass	394.066g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	154A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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