N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide

C14H14ClNO2S — CID 669258

IUPACN-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-11-7-8-13(9-14(11)15)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyIMQJGZLZQIWDCK-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.59
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide

N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 669258) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID669258
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-11-7-8-13(9-14(11)15)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyIMQJGZLZQIWDCK-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide (CID 669258) is N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is IMQJGZLZQIWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-11-7-8-13(9-14(11)15)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide?
N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 669258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).