N-(4-chlorophenyl)sulfonyl-2-methylbenzamide

C14H12ClNO3S — CID 11266872

IUPACN-(4-chlorophenyl)sulfonyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-4-2-3-5-13(10)14(17)16-20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3,(H,16,17)
InChIKeyJQSONZDJELNSLQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.77
Rot. Bonds3

About N-(4-chlorophenyl)sulfonyl-2-methylbenzamide

N-(4-chlorophenyl)sulfonyl-2-methylbenzamide (PubChem CID 11266872) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-methylbenzamide
PubChem CID11266872
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-4-2-3-5-13(10)14(17)16-20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3,(H,16,17)
InChIKeyJQSONZDJELNSLQ-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 N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-methylbenzamide (CID 11266872) is N-(4-chlorophenyl)sulfonyl-2-methylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-methylbenzamide is Cc1ccccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
The InChIKey is JQSONZDJELNSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-10-4-2-3-5-13(10)14(17)16-20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3,(H,16,17).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
N-(4-chlorophenyl)sulfonyl-2-methylbenzamide 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 N-(4-chlorophenyl)sulfonyl-2-methylbenzamide is sourced from PubChem (CID 11266872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).