N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide

C8H8ClN5O2S — CID 11323290

IUPACN-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C8H8ClN5O2S/c9-5-1-3-6(4-2-5)17(15,16)14-8-11-7(10)12-13-8/h1-4H,(H4,10,11,12,13,14)
InChIKeyBRGWYKKXPBRFSI-UHFFFAOYSA-N
MW273.71 g/mol
LogP0.84
Rot. Bonds3

About N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide

N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide (PubChem CID 11323290) has the molecular formula C8H8ClN5O2S and a molecular weight of 273.71 g/mol. Its IUPAC name is N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
PubChem CID11323290
Molecular FormulaC8H8ClN5O2S
Molecular Weight273.71 g/mol
Exact Mass273.01
IUPAC NameN-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C8H8ClN5O2S/c9-5-1-3-6(4-2-5)17(15,16)14-8-11-7(10)12-13-8/h1-4H,(H4,10,11,12,13,14)
InChIKeyBRGWYKKXPBRFSI-UHFFFAOYSA-N
XLogP0.84
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide 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-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide (CID 11323290) is N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide is Nc1nc(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The InChIKey is BRGWYKKXPBRFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2S/c9-5-1-3-6(4-2-5)17(15,16)14-8-11-7(10)12-13-8/h1-4H,(H4,10,11,12,13,14).
What are the key properties of N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide has a molecular weight of 273.71 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 11323290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).