4-chloro-N-(4-methylphenyl)sulfonylbenzamide

C14H12ClNO3S — CID 766165

IUPAC4-chloro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-2-8-13(9-3-10)20(18,19)16-14(17)11-4-6-12(15)7-5-11/h2-9H,1H3,(H,16,17)
InChIKeyXQIKDLZMAPIBJR-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.77
Rot. Bonds3

About 4-chloro-N-(4-methylphenyl)sulfonylbenzamide

4-chloro-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 766165) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-chloro-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID766165
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name4-chloro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-2-8-13(9-3-10)20(18,19)16-14(17)11-4-6-12(15)7-5-11/h2-9H,1H3,(H,16,17)
InChIKeyXQIKDLZMAPIBJR-UHFFFAOYSA-N
XLogP2.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(4-methylphenyl)sulfonylbenzamide (CID 766165) is 4-chloro-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is XQIKDLZMAPIBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-10-2-8-13(9-3-10)20(18,19)16-14(17)11-4-6-12(15)7-5-11/h2-9H,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(4-methylphenyl)sulfonylbenzamide?
4-chloro-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 309.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 766165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).