N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide

C15H14N4O2S2 — CID 3276317

IUPACN-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide
SMILESCSc1n[nH]c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H14N4O2S2/c1-22-15-16-14(17-18-15)19-23(20,21)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyAYWWOVOUXSDMLW-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.99
Rot. Bonds5

About N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide

N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide (PubChem CID 3276317) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide
PubChem CID3276317
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide
SMILESCSc1n[nH]c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H14N4O2S2/c1-22-15-16-14(17-18-15)19-23(20,21)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyAYWWOVOUXSDMLW-UHFFFAOYSA-N
XLogP2.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide 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-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide (CID 3276317) is N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide is CSc1n[nH]c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide?
The InChIKey is AYWWOVOUXSDMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-22-15-16-14(17-18-15)19-23(20,21)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19).
What are the key properties of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide?
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide has a molecular weight of 346.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3276317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).