N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

C9H10N4O2S — CID 60982300

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C9H10N4O2S/c14-16(15,8-4-2-1-3-5-8)12-6-9-10-7-11-13-9/h1-5,7,12H,6H2,(H,10,11,13)
InChIKeyPGLVFPMLBGJVOL-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.28
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (PubChem CID 60982300) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
PubChem CID60982300
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C9H10N4O2S/c14-16(15,8-4-2-1-3-5-8)12-6-9-10-7-11-13-9/h1-5,7,12H,6H2,(H,10,11,13)
InChIKeyPGLVFPMLBGJVOL-UHFFFAOYSA-N
XLogP0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)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 N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (CID 60982300) is N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ncn[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is PGLVFPMLBGJVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c14-16(15,8-4-2-1-3-5-8)12-6-9-10-7-11-13-9/h1-5,7,12H,6H2,(H,10,11,13).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60982300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).