4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C13H9ClF3NO2S — CID 765332

IUPAC4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF3NO2S/c14-10-4-6-12(7-5-10)21(19,20)18-11-3-1-2-9(8-11)13(15,16)17/h1-8,18H
InChIKeyAIGKNZVPDLBPRX-UHFFFAOYSA-N
MW335.73 g/mol
LogP4.16
Rot. Bonds3

About 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 765332) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID765332
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC Name4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF3NO2S/c14-10-4-6-12(7-5-10)21(19,20)18-11-3-1-2-9(8-11)13(15,16)17/h1-8,18H
InChIKeyAIGKNZVPDLBPRX-UHFFFAOYSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 765332) is 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is AIGKNZVPDLBPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c14-10-4-6-12(7-5-10)21(19,20)18-11-3-1-2-9(8-11)13(15,16)17/h1-8,18H.
What are the key properties of 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 335.73 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 765332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).