3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide

C11H14N4O3S — CID 131896047

IUPAC3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1-c1ncnn1CCO
InChIInChI=1S/C11H14N4O3S/c1-8-2-3-9(19(12,17)18)6-10(8)11-13-7-14-15(11)4-5-16/h2-3,6-7,16H,4-5H2,1H3,(H2,12,17,18)
InChIKeyVPHHNHAAAPTJJO-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.11
Rot. Bonds4

About 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide

3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 131896047) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide
PubChem CID131896047
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1-c1ncnn1CCO
InChIInChI=1S/C11H14N4O3S/c1-8-2-3-9(19(12,17)18)6-10(8)11-13-7-14-15(11)4-5-16/h2-3,6-7,16H,4-5H2,1H3,(H2,12,17,18)
InChIKeyVPHHNHAAAPTJJO-UHFFFAOYSA-N
XLogP-0.11
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide 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-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide (CID 131896047) is 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1-c1ncnn1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is VPHHNHAAAPTJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-8-2-3-9(19(12,17)18)6-10(8)11-13-7-14-15(11)4-5-16/h2-3,6-7,16H,4-5H2,1H3,(H2,12,17,18).
What are the key properties of 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide?
3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 131896047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).