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113644-21-6 | Benzenesulfonamide, N-(4-methylphenyl)-3-nitro-4-(phenylamino)-
CAS No: 113644-21-6 Catalog No: AG00098G MDL No:
Product Description
Catalog Number:
AG00098G
Chemical Name:
Benzenesulfonamide, N-(4-methylphenyl)-3-nitro-4-(phenylamino)-
CAS Number:
113644-21-6
Molecular Formula:
C19H17N3O4S
Molecular Weight:
383.4210
IUPAC Name:
4-anilino-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C19H17N3O4S/c1-14-7-9-16(10-8-14)21-27(25,26)17-11-12-18(19(13-17)22(23)24)20-15-5-3-2-4-6-15/h2-13,20-21H,1H3
InChI Key:
QXVWMVMKFXSCMX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.422g/mol
Monoisotopic Mass:
383.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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