4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide

C19H16ClNO2S — CID 143959278

IUPAC4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C19H16ClNO2S/c1-14-5-4-6-16(13-14)21-24(22,23)17-11-9-15(10-12-17)18-7-2-3-8-19(18)20/h2-13,21H,1H3
InChIKeyQUTMBLUDUYBJFN-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.12
Rot. Bonds4

About 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide

4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 143959278) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID143959278
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC Name4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C19H16ClNO2S/c1-14-5-4-6-16(13-14)21-24(22,23)17-11-9-15(10-12-17)18-7-2-3-8-19(18)20/h2-13,21H,1H3
InChIKeyQUTMBLUDUYBJFN-UHFFFAOYSA-N
XLogP5.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
4-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 174761183
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
[4-[(3-methylphenyl)sulfamoyl]phenyl] 4-methylbenzenesulfonate
CID 20705329

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide (CID 143959278) is 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3Cl)cc2)c1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is QUTMBLUDUYBJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-14-5-4-6-16(13-14)21-24(22,23)17-11-9-15(10-12-17)18-7-2-3-8-19(18)20/h2-13,21H,1H3.
What are the key properties of 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide?
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 357.86 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 143959278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).