N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide

C15H12ClNO2S — CID 2567536

IUPACN-[2-(4-chlorophenyl)sulfanylacetyl]benzamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO2S/c16-12-6-8-13(9-7-12)20-10-14(18)17-15(19)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18,19)
InChIKeyQHXBGWQWJNIIOW-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide

N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide (PubChem CID 2567536) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylacetyl]benzamide
PubChem CID2567536
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC NameN-[2-(4-chlorophenyl)sulfanylacetyl]benzamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO2S/c16-12-6-8-13(9-7-12)20-10-14(18)17-15(19)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18,19)
InChIKeyQHXBGWQWJNIIOW-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide (CID 2567536) is N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide is O=C(CSc1ccc(Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide?
The InChIKey is QHXBGWQWJNIIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-12-6-8-13(9-7-12)20-10-14(18)17-15(19)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18,19).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide?
N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide has a molecular weight of 305.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide is sourced from PubChem (CID 2567536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).