2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide

C15H14ClNO3S — CID 56663333

IUPAC2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyKARUNYWUPUPXDW-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide

2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 56663333) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID56663333
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyKARUNYWUPUPXDW-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide (CID 56663333) is 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is KARUNYWUPUPXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 323.80 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 56663333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).