2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide

C15H14ClNO3S — CID 2987579

IUPAC2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-13-8-6-12(7-9-13)10-17-15(18)11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyQPGQSHRVPRDCOG-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.43
Rot. Bonds5

About 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide

2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 2987579) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID2987579
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-13-8-6-12(7-9-13)10-17-15(18)11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyQPGQSHRVPRDCOG-UHFFFAOYSA-N
XLogP2.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide (CID 2987579) is 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide is O=C(CS(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is QPGQSHRVPRDCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-8-6-12(7-9-13)10-17-15(18)11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide?
2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 323.80 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2987579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).