2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

C10H11FN4O2S — CID 35387035

IUPAC2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H11FN4O2S/c1-15-7-12-14-10(15)6-13-18(16,17)9-5-3-2-4-8(9)11/h2-5,7,13H,6H2,1H3
InChIKeyRHWUXEDDLKOLCA-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.43
Rot. Bonds4

About 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (PubChem CID 35387035) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
PubChem CID35387035
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H11FN4O2S/c1-15-7-12-14-10(15)6-13-18(16,17)9-5-3-2-4-8(9)11/h2-5,7,13H,6H2,1H3
InChIKeyRHWUXEDDLKOLCA-UHFFFAOYSA-N
XLogP0.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]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 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (CID 35387035) is 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is Cn1cnnc1CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is RHWUXEDDLKOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-7-12-14-10(15)6-13-18(16,17)9-5-3-2-4-8(9)11/h2-5,7,13H,6H2,1H3.
What are the key properties of 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 35387035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).