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

C13H12ClNO3S2 — CID 2819853

IUPAC4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H12ClNO3S2/c1-19(16,12-5-3-2-4-6-12)15-20(17,18)13-9-7-11(14)8-10-13/h2-10H,1H3
InChIKeyORRZLBKMHCBGJM-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.19
Rot. Bonds3

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

4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide (PubChem CID 2819853) has the molecular formula C13H12ClNO3S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide
PubChem CID2819853
Molecular FormulaC13H12ClNO3S2
Molecular Weight329.83 g/mol
Exact Mass328.99
IUPAC Name4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H12ClNO3S2/c1-19(16,12-5-3-2-4-6-12)15-20(17,18)13-9-7-11(14)8-10-13/h2-10H,1H3
InChIKeyORRZLBKMHCBGJM-UHFFFAOYSA-N
XLogP3.19
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide (CID 2819853) is 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide is CS(=O)(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide?
The InChIKey is ORRZLBKMHCBGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S2/c1-19(16,12-5-3-2-4-6-12)15-20(17,18)13-9-7-11(14)8-10-13/h2-10H,1H3.
What are the key properties of 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide?
4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide has a molecular weight of 329.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide is sourced from PubChem (CID 2819853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).