4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

C15H12Cl2N4O2S — CID 71461439

IUPAC4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N4O2S/c16-12-3-5-14(6-4-12)24(22,23)19-15-9-13(17)2-1-11(15)10-21-8-7-18-20-21/h1-9,19H,10H2
InChIKeyUNODWYJNQAHVAZ-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.43
Rot. Bonds5

About 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 71461439) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID71461439
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC Name4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N4O2S/c16-12-3-5-14(6-4-12)24(22,23)19-15-9-13(17)2-1-11(15)10-21-8-7-18-20-21/h1-9,19H,10H2
InChIKeyUNODWYJNQAHVAZ-UHFFFAOYSA-N
XLogP3.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)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-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 71461439) is 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is UNODWYJNQAHVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c16-12-3-5-14(6-4-12)24(22,23)19-15-9-13(17)2-1-11(15)10-21-8-7-18-20-21/h1-9,19H,10H2.
What are the key properties of 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 383.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71461439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).