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

C15H14ClN5O2S — CID 76851736

IUPAC3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1
InChIInChI=1S/C15H14ClN5O2S/c16-12-5-4-11(10-21-7-6-18-20-21)15(8-12)19-24(22,23)14-3-1-2-13(17)9-14/h1-9,19H,10,17H2
InChIKeyRRLCFYBMLCBRIO-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.36
Rot. Bonds5

About 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 76851736) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID76851736
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1
InChIInChI=1S/C15H14ClN5O2S/c16-12-5-4-11(10-21-7-6-18-20-21)15(8-12)19-24(22,23)14-3-1-2-13(17)9-14/h1-9,19H,10,17H2
InChIKeyRRLCFYBMLCBRIO-UHFFFAOYSA-N
XLogP2.36
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-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 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 76851736) is 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1.
What is the InChIKey of 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is RRLCFYBMLCBRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c16-12-5-4-11(10-21-7-6-18-20-21)15(8-12)19-24(22,23)14-3-1-2-13(17)9-14/h1-9,19H,10,17H2.
What are the key properties of 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 76851736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).