4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H7ClF3NO2S — CID 142344680

IUPAC4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClF3NO2S/c9-6-1-3-7(4-2-6)16(14,15)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyHZFCVTZCNMSWIG-UHFFFAOYSA-N
MW273.66 g/mol
LogP2.18
Rot. Bonds3

About 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 142344680) has the molecular formula C8H7ClF3NO2S and a molecular weight of 273.66 g/mol. Its IUPAC name is 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID142344680
Molecular FormulaC8H7ClF3NO2S
Molecular Weight273.66 g/mol
Exact Mass272.98
IUPAC Name4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClF3NO2S/c9-6-1-3-7(4-2-6)16(14,15)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyHZFCVTZCNMSWIG-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 142344680) is 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is HZFCVTZCNMSWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2S/c9-6-1-3-7(4-2-6)16(14,15)13-5-8(10,11)12/h1-4,13H,5H2.
What are the key properties of 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 273.66 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 142344680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).