N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide

C14H12ClNO3S — CID 47108694

IUPACN-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyNLUWZXLRLCWBRQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.39
Rot. Bonds4

About N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide

N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide (PubChem CID 47108694) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide
PubChem CID47108694
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyNLUWZXLRLCWBRQ-UHFFFAOYSA-N
XLogP2.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide (CID 47108694) is N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is NLUWZXLRLCWBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17).
What are the key properties of N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide?
N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 309.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 47108694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).