2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide

C15H14ClF3N2O4S2 — CID 2562534

IUPAC2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C15H14ClF3N2O4S2/c16-13-6-3-11(15(17,18)19)9-14(13)27(24,25)21-8-7-10-1-4-12(5-2-10)26(20,22)23/h1-6,9,21H,7-8H2,(H2,20,22,23)
InChIKeyRMJCDABHRXJEAO-UHFFFAOYSA-N
MW442.87 g/mol
LogP2.53
Rot. Bonds6

About 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 2562534) has the molecular formula C15H14ClF3N2O4S2 and a molecular weight of 442.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID2562534
Molecular FormulaC15H14ClF3N2O4S2
Molecular Weight442.87 g/mol
Exact Mass442.00
IUPAC Name2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C15H14ClF3N2O4S2/c16-13-6-3-11(15(17,18)19)9-14(13)27(24,25)21-8-7-10-1-4-12(5-2-10)26(20,22)23/h1-6,9,21H,7-8H2,(H2,20,22,23)
InChIKeyRMJCDABHRXJEAO-UHFFFAOYSA-N
XLogP2.53
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-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-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide (CID 2562534) is 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RMJCDABHRXJEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O4S2/c16-13-6-3-11(15(17,18)19)9-14(13)27(24,25)21-8-7-10-1-4-12(5-2-10)26(20,22)23/h1-6,9,21H,7-8H2,(H2,20,22,23).
What are the key properties of 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 442.87 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2562534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).