4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide

C14H12ClNO2S — CID 12033916

IUPAC4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide
SMILESCS(=O)(=NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO2S/c1-19(18,13-5-3-2-4-6-13)16-14(17)11-7-9-12(15)10-8-11/h2-10H,1H3
InChIKeySGBVVLDFEHPJKC-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.64
Rot. Bonds2

About 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide

4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide (PubChem CID 12033916) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide.

Molecular Properties

Compound Name4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide
PubChem CID12033916
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide
SMILESCS(=O)(=NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO2S/c1-19(18,13-5-3-2-4-6-13)16-14(17)11-7-9-12(15)10-8-11/h2-10H,1H3
InChIKeySGBVVLDFEHPJKC-UHFFFAOYSA-N
XLogP3.64
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide?
The IUPAC name of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide (CID 12033916) is 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide.
What is the SMILES notation for 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide?
The canonical SMILES for 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide is CS(=O)(=NC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide?
The InChIKey is SGBVVLDFEHPJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-19(18,13-5-3-2-4-6-13)16-14(17)11-7-9-12(15)10-8-11/h2-10H,1H3.
What are the key properties of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide?
4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide has a molecular weight of 293.78 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide is sourced from PubChem (CID 12033916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).