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

C9H9FN4O2S — CID 71969278

IUPAC4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FN4O2S/c1-14-9(11-6-12-14)13-17(15,16)8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12,13)
InChIKeyOBNWIPVDKBJNNV-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.75
Rot. Bonds3

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

4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 71969278) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID71969278
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC Name4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FN4O2S/c1-14-9(11-6-12-14)13-17(15,16)8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12,13)
InChIKeyOBNWIPVDKBJNNV-UHFFFAOYSA-N
XLogP0.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-(2-methyl-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

Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
N1-[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]-2,4-difluorobenzene-1-sulfonamide
CID 2805442
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 2851327
1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine
CID 697181
2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71917723
N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71917724
4-fluoro-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}benzene-1-sulfonamide
CID 135347426
1H-1,2,4-triazol-3-yl(phenylsulfonyl)amine
CID 4243591
1H-1,2,4-Triazole, 1-(phenylsulfonyl)-
CID 4418200
1-N-(2-methyl-1,2,4-triazol-3-yl)-4-N,4-N-bis(prop-2-enyl)benzene-1,4-disulfonamide
CID 91648887
4-Fluoro-N-1H-1,2,4-triazol-5-ylbenzenesulfonamide
CID 60384037

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 71969278) is 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is Cn1ncnc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is OBNWIPVDKBJNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c1-14-9(11-6-12-14)13-17(15,16)8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12,13).
What are the key properties of 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 256.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 71969278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).