N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide

C19H16ClNO2S — CID 23217552

IUPACN-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H16ClNO2S/c1-14-11-12-15(13-18(14)20)17-9-5-6-10-19(17)21-24(22,23)16-7-3-2-4-8-16/h2-13,21H,1H3
InChIKeyZRDBLOMZWDRVSX-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.12
Rot. Bonds4

About N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide

N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 23217552) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide
PubChem CID23217552
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC NameN-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H16ClNO2S/c1-14-11-12-15(13-18(14)20)17-9-5-6-10-19(17)21-24(22,23)16-7-3-2-4-8-16/h2-13,21H,1H3
InChIKeyZRDBLOMZWDRVSX-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide (CID 23217552) is N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide is Cc1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is ZRDBLOMZWDRVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-14-11-12-15(13-18(14)20)17-9-5-6-10-19(17)21-24(22,23)16-7-3-2-4-8-16/h2-13,21H,1H3.
What are the key properties of N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide?
N-[2-(3-chloro-4-methylphenyl)phenyl]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 N-[2-(3-chloro-4-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23217552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).