4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide

C11H13FN4O2S — CID 113396095

IUPAC4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(-c2cc(C)cc(F)c2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H13FN4O2S/c1-3-16-10(14-15-11(16)19(13,17)18)8-4-7(2)5-9(12)6-8/h4-6H,3H2,1-2H3,(H2,13,17,18)
InChIKeyCPQGAFCARSYBPY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.06
Rot. Bonds3

About 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide

4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113396095) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide
PubChem CID113396095
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(-c2cc(C)cc(F)c2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H13FN4O2S/c1-3-16-10(14-15-11(16)19(13,17)18)8-4-7(2)5-9(12)6-8/h4-6H,3H2,1-2H3,(H2,13,17,18)
InChIKeyCPQGAFCARSYBPY-UHFFFAOYSA-N
XLogP1.06
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide (CID 113396095) is 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide is CCn1c(-c2cc(C)cc(F)c2)nnc1S(N)(=O)=O.
What is the InChIKey of 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is CPQGAFCARSYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-3-16-10(14-15-11(16)19(13,17)18)8-4-7(2)5-9(12)6-8/h4-6H,3H2,1-2H3,(H2,13,17,18).
What are the key properties of 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide?
4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113396095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).