4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide

C13H8Cl2F3NO2S — CID 2810851

IUPAC4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-9-2-4-10(5-3-9)22(20,21)19-12-6-1-8(7-11(12)15)13(16,17)18/h1-7,19H
InChIKeyQQHGBOTVPDXYJQ-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.81
Rot. Bonds3

About 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide

4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2810851) has the molecular formula C13H8Cl2F3NO2S and a molecular weight of 370.18 g/mol. Its IUPAC name is 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2810851
Molecular FormulaC13H8Cl2F3NO2S
Molecular Weight370.18 g/mol
Exact Mass368.96
IUPAC Name4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-9-2-4-10(5-3-9)22(20,21)19-12-6-1-8(7-11(12)15)13(16,17)18/h1-7,19H
InChIKeyQQHGBOTVPDXYJQ-UHFFFAOYSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[2-chloro-4-(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-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2810851) is 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is QQHGBOTVPDXYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2S/c14-9-2-4-10(5-3-9)22(20,21)19-12-6-1-8(7-11(12)15)13(16,17)18/h1-7,19H.
What are the key properties of 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 370.18 g/mol, XLogP of 4.81, 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-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2810851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).