4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

C11H13FN4O2S — CID 107327342

IUPAC4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C11H13FN4O2S/c1-7-4-9(12)5-8(2)10(7)19(17,18)15-11-13-6-14-16(11)3/h4-6H,1-3H3,(H,13,14,15)
InChIKeyFQXTWQHTIYROIP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.37
Rot. Bonds3

About 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 107327342) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID107327342
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C11H13FN4O2S/c1-7-4-9(12)5-8(2)10(7)19(17,18)15-11-13-6-14-16(11)3/h4-6H,1-3H3,(H,13,14,15)
InChIKeyFQXTWQHTIYROIP-UHFFFAOYSA-N
XLogP1.37
TPSA76.88 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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 107327342) is 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ncnn1C.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is FQXTWQHTIYROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-7-4-9(12)5-8(2)10(7)19(17,18)15-11-13-6-14-16(11)3/h4-6H,1-3H3,(H,13,14,15).
What are the key properties of 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 107327342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).