4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide

C15H11ClFNO2S — CID 2443912

IUPAC4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide
SMILESO=C(CSc1ccccc1F)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO2S/c16-11-7-5-10(6-8-11)15(20)18-14(19)9-21-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,19,20)
InChIKeyAHGLDRZOQQBICM-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.53
Rot. Bonds4

About 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide

4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide (PubChem CID 2443912) has the molecular formula C15H11ClFNO2S and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide
PubChem CID2443912
Molecular FormulaC15H11ClFNO2S
Molecular Weight323.78 g/mol
Exact Mass323.02
IUPAC Name4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide
SMILESO=C(CSc1ccccc1F)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO2S/c16-11-7-5-10(6-8-11)15(20)18-14(19)9-21-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,19,20)
InChIKeyAHGLDRZOQQBICM-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide (CID 2443912) is 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide is O=C(CSc1ccccc1F)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide?
The InChIKey is AHGLDRZOQQBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2S/c16-11-7-5-10(6-8-11)15(20)18-14(19)9-21-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,19,20).
What are the key properties of 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide?
4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide has a molecular weight of 323.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide is sourced from PubChem (CID 2443912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).