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

C15H15N5O2S2 — CID 155548106

IUPAC2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide
SMILESNn1c(-c2ccccc2S(=O)(=O)NCc2ccccc2)n[nH]c1=S
InChIInChI=1S/C15H15N5O2S2/c16-20-14(18-19-15(20)23)12-8-4-5-9-13(12)24(21,22)17-10-11-6-2-1-3-7-11/h1-9,17H,10,16H2,(H,19,23)
InChIKeyCKXCTDNPVGVMSU-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.80
Rot. Bonds5

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

2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide (PubChem CID 155548106) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide
PubChem CID155548106
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide
SMILESNn1c(-c2ccccc2S(=O)(=O)NCc2ccccc2)n[nH]c1=S
InChIInChI=1S/C15H15N5O2S2/c16-20-14(18-19-15(20)23)12-8-4-5-9-13(12)24(21,22)17-10-11-6-2-1-3-7-11/h1-9,17H,10,16H2,(H,19,23)
InChIKeyCKXCTDNPVGVMSU-UHFFFAOYSA-N
XLogP1.80
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide 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 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide?
The IUPAC name of 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide (CID 155548106) is 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide.
What is the SMILES notation for 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide?
The canonical SMILES for 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide is Nn1c(-c2ccccc2S(=O)(=O)NCc2ccccc2)n[nH]c1=S.
What is the InChIKey of 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide?
The InChIKey is CKXCTDNPVGVMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c16-20-14(18-19-15(20)23)12-8-4-5-9-13(12)24(21,22)17-10-11-6-2-1-3-7-11/h1-9,17H,10,16H2,(H,19,23).
What are the key properties of 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide?
2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide has a molecular weight of 361.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-benzylbenzenesulfonamide is sourced from PubChem (CID 155548106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).