2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide

C8H7ClF3NO2S — CID 738768

IUPAC2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF3NO2S/c1-13-16(14,15)7-4-5(8(10,11)12)2-3-6(7)9/h2-4,13H,1H3
InChIKeyPECZBOAPBVWGRD-UHFFFAOYSA-N
MW273.66 g/mol
LogP2.27
Rot. Bonds2

About 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 738768) has the molecular formula C8H7ClF3NO2S and a molecular weight of 273.66 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID738768
Molecular FormulaC8H7ClF3NO2S
Molecular Weight273.66 g/mol
Exact Mass272.98
IUPAC Name2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF3NO2S/c1-13-16(14,15)7-4-5(8(10,11)12)2-3-6(7)9/h2-4,13H,1H3
InChIKeyPECZBOAPBVWGRD-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-methyl-5-(trifluoromethyl)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 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide (CID 738768) is 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide is CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PECZBOAPBVWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2S/c1-13-16(14,15)7-4-5(8(10,11)12)2-3-6(7)9/h2-4,13H,1H3.
What are the key properties of 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 273.66 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 738768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).