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

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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).