4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide

C13H10Cl2FNO4S2 — CID 57377341

IUPAC4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10Cl2FNO4S2/c1-22(18,19)13-5-3-9(15)7-11(13)17-23(20,21)12-4-2-8(14)6-10(12)16/h2-7,17H,1H3
InChIKeyRWFSMEFOPKEVQV-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.34
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide

4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 57377341) has the molecular formula C13H10Cl2FNO4S2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide
PubChem CID57377341
Molecular FormulaC13H10Cl2FNO4S2
Molecular Weight398.26 g/mol
Exact Mass396.94
IUPAC Name4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10Cl2FNO4S2/c1-22(18,19)13-5-3-9(15)7-11(13)17-23(20,21)12-4-2-8(14)6-10(12)16/h2-7,17H,1H3
InChIKeyRWFSMEFOPKEVQV-UHFFFAOYSA-N
XLogP3.34
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide (CID 57377341) is 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide is CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is RWFSMEFOPKEVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO4S2/c1-22(18,19)13-5-3-9(15)7-11(13)17-23(20,21)12-4-2-8(14)6-10(12)16/h2-7,17H,1H3.
What are the key properties of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide?
4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 398.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 57377341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).