2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide

C11H11F3N6O3S2 — CID 2418288

IUPAC2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C(F)(F)F
InChIInChI=1S/C11H11F3N6O3S2/c12-11(13,14)9-18-19-10(20(9)15)24-5-8(21)17-6-1-3-7(4-2-6)25(16,22)23/h1-4H,5,15H2,(H,17,21)(H2,16,22,23)
InChIKeyWTKRUIKUNDDXKU-UHFFFAOYSA-N
MW396.38 g/mol
LogP0.39
Rot. Bonds5

About 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2418288) has the molecular formula C11H11F3N6O3S2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2418288
Molecular FormulaC11H11F3N6O3S2
Molecular Weight396.38 g/mol
Exact Mass396.03
IUPAC Name2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C(F)(F)F
InChIInChI=1S/C11H11F3N6O3S2/c12-11(13,14)9-18-19-10(20(9)15)24-5-8(21)17-6-1-3-7(4-2-6)25(16,22)23/h1-4H,5,15H2,(H,17,21)(H2,16,22,23)
InChIKeyWTKRUIKUNDDXKU-UHFFFAOYSA-N
XLogP0.39
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide 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-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 2418288) is 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide is Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C(F)(F)F.
What is the InChIKey of 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is WTKRUIKUNDDXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O3S2/c12-11(13,14)9-18-19-10(20(9)15)24-5-8(21)17-6-1-3-7(4-2-6)25(16,22)23/h1-4H,5,15H2,(H,17,21)(H2,16,22,23).
What are the key properties of 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 396.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2418288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).