2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

C11H13FN4O2S — CID 64529713

IUPAC2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCc2ncn[nH]2)c1
InChIInChI=1S/C11H13FN4O2S/c1-8-2-3-9(12)10(6-8)19(17,18)15-5-4-11-13-7-14-16-11/h2-3,6-7,15H,4-5H2,1H3,(H,13,14,16)
InChIKeyXXNFRPCKQBMLEU-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.77
Rot. Bonds5

About 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 64529713) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
PubChem CID64529713
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCc2ncn[nH]2)c1
InChIInChI=1S/C11H13FN4O2S/c1-8-2-3-9(12)10(6-8)19(17,18)15-5-4-11-13-7-14-16-11/h2-3,6-7,15H,4-5H2,1H3,(H,13,14,16)
InChIKeyXXNFRPCKQBMLEU-UHFFFAOYSA-N
XLogP0.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]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-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (CID 64529713) is 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCCc2ncn[nH]2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is XXNFRPCKQBMLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-8-2-3-9(12)10(6-8)19(17,18)15-5-4-11-13-7-14-16-11/h2-3,6-7,15H,4-5H2,1H3,(H,13,14,16).
What are the key properties of 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 64529713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).