AC1MED80

3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Also Known As: Oprea1_141654|CCG-3561|AG-205/40122413|SR-01000399018-1|3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid|3-[2-Methyl-5-[(4-nitrophenyl)carbamoyl]phenylsulfonamido]benzoic Acid|3-{[(2-methyl-5-{[(4-nitrophenyl)amino]carbonyl}phenyl)sulfonyl]amino}benzoic acid|3-{2-METHYL-5-[(4-NITROPHENYL)CARBAMOYL]BENZENESULFONAMIDO}BENZOIC ACID|3-({[5-({4-nitroanilino}carbonyl)-2-methylphenyl]sulfonyl}amino)benzoic acid

Molecular Formula	C21H17N3O7S
Molecular Weight	455.07874 g/mol
LogP	3.65452
Topological Polar Surface Area	155.71 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	455.07874
Monoisotopic Mass	455.07874
Heavy Atoms	32
Complexity	1319.4749

Chemical Identifiers

CAS Number	313259-86-8
SMILES	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC(=C3)C(=O)O