4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide

C11H11N5O2S2 — CID 25044190

IUPAC4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCSc1nc(NS(=O)(=O)c2ccc(C#N)cc2)nn1C
InChIInChI=1S/C11H11N5O2S2/c1-16-11(19-2)13-10(14-16)15-20(17,18)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3,(H,14,15)
InChIKeyJTVBPJZBYWMVFS-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.21
Rot. Bonds4

About 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide

4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 25044190) has the molecular formula C11H11N5O2S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID25044190
Molecular FormulaC11H11N5O2S2
Molecular Weight309.38 g/mol
Exact Mass309.04
IUPAC Name4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCSc1nc(NS(=O)(=O)c2ccc(C#N)cc2)nn1C
InChIInChI=1S/C11H11N5O2S2/c1-16-11(19-2)13-10(14-16)15-20(17,18)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3,(H,14,15)
InChIKeyJTVBPJZBYWMVFS-UHFFFAOYSA-N
XLogP1.21
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-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

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 25044190) is 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide is CSc1nc(NS(=O)(=O)c2ccc(C#N)cc2)nn1C.
What is the InChIKey of 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is JTVBPJZBYWMVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S2/c1-16-11(19-2)13-10(14-16)15-20(17,18)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 309.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 25044190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).