N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide

C19H16BrNO2S — CID 4677884

IUPACN-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16BrNO2S/c1-14-7-10-17(20)13-19(14)21-24(22,23)18-11-8-16(9-12-18)15-5-3-2-4-6-15/h2-13,21H,1H3
InChIKeyDJSMZWHTPIUGPN-UHFFFAOYSA-N
MW402.31 g/mol
LogP5.23
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide

N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide (PubChem CID 4677884) has the molecular formula C19H16BrNO2S and a molecular weight of 402.31 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
PubChem CID4677884
Molecular FormulaC19H16BrNO2S
Molecular Weight402.31 g/mol
Exact Mass401.01
IUPAC NameN-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16BrNO2S/c1-14-7-10-17(20)13-19(14)21-24(22,23)18-11-8-16(9-12-18)15-5-3-2-4-6-15/h2-13,21H,1H3
InChIKeyDJSMZWHTPIUGPN-UHFFFAOYSA-N
XLogP5.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.31
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide
CID 46831774
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide (CID 4677884) is N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide?
The InChIKey is DJSMZWHTPIUGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2S/c1-14-7-10-17(20)13-19(14)21-24(22,23)18-11-8-16(9-12-18)15-5-3-2-4-6-15/h2-13,21H,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide?
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide has a molecular weight of 402.31 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 4677884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).