2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C8H7ClN4O2S — CID 647041

IUPAC2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccccc1Cl
InChIInChI=1S/C8H7ClN4O2S/c9-7-3-1-2-4-8(7)16(14,15)12-13-5-10-11-6-13/h1-6,12H
InChIKeyYTXOFXXWEMIXEL-UHFFFAOYSA-N
MW258.69 g/mol
LogP0.86
Rot. Bonds3

About 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 647041) has the molecular formula C8H7ClN4O2S and a molecular weight of 258.69 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID647041
Molecular FormulaC8H7ClN4O2S
Molecular Weight258.69 g/mol
Exact Mass258.00
IUPAC Name2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccccc1Cl
InChIInChI=1S/C8H7ClN4O2S/c9-7-3-1-2-4-8(7)16(14,15)12-13-5-10-11-6-13/h1-6,12H
InChIKeyYTXOFXXWEMIXEL-UHFFFAOYSA-N
XLogP0.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(4H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 921839
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 2851327
N-[1-[(4-chlorophenyl)sulfonyl]-3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-dimethylamine
CID 3307856
1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine
CID 697181
2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71917723
Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-
CID 134943
N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chloro-benzenesulfonamide
CID 11323290
1H-1,2,4-triazol-3-yl(phenylsulfonyl)amine
CID 4243591
1H-1,2,4-Triazole, 1-(phenylsulfonyl)-
CID 4418200
2,5-Dichloro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 589498
N-(5-amino-1,2,4-triazol-3-yl)-2-chlorobenzenesulfonamide
CID 13772885

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 647041) is 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is O=S(=O)(Nn1cnnc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is YTXOFXXWEMIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S/c9-7-3-1-2-4-8(7)16(14,15)12-13-5-10-11-6-13/h1-6,12H.
What are the key properties of 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 258.69 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 647041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).