4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide

C14H11Cl2NO2S — CID 2819821

IUPAC4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide
SMILESCS(=O)(=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO2S/c1-20(19,13-8-6-12(16)7-9-13)17-14(18)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyWAAPTFBSFWGDTF-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.29
Rot. Bonds2

About 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide

4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide (PubChem CID 2819821) has the molecular formula C14H11Cl2NO2S and a molecular weight of 328.22 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide
PubChem CID2819821
Molecular FormulaC14H11Cl2NO2S
Molecular Weight328.22 g/mol
Exact Mass326.99
IUPAC Name4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide
SMILESCS(=O)(=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO2S/c1-20(19,13-8-6-12(16)7-9-13)17-14(18)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyWAAPTFBSFWGDTF-UHFFFAOYSA-N
XLogP4.29
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide (CID 2819821) is 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide is CS(=O)(=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide?
The InChIKey is WAAPTFBSFWGDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S/c1-20(19,13-8-6-12(16)7-9-13)17-14(18)10-2-4-11(15)5-3-10/h2-9H,1H3.
What are the key properties of 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide?
4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide has a molecular weight of 328.22 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide is sourced from PubChem (CID 2819821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).