4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide

C12H8ClF2NO2S — CID 4788452

IUPAC4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7,16H
InChIKeyXNVSMXIZNGAENB-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide

4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide (PubChem CID 4788452) has the molecular formula C12H8ClF2NO2S and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
PubChem CID4788452
Molecular FormulaC12H8ClF2NO2S
Molecular Weight303.72 g/mol
Exact Mass302.99
IUPAC Name4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7,16H
InChIKeyXNVSMXIZNGAENB-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide 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-(2,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide (CID 4788452) is 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide?
The InChIKey is XNVSMXIZNGAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7,16H.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide has a molecular weight of 303.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 4788452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).