2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide

C10H11FN4O3S — CID 83083975

IUPAC2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cc(C)ccc2F)n1
InChIInChI=1S/C10H11FN4O3S/c1-6-3-4-7(11)8(5-6)19(16,17)15-9-12-10(18-2)14-13-9/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeySBDLFLAFBOIMEH-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.06
Rot. Bonds4

About 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide

2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide (PubChem CID 83083975) has the molecular formula C10H11FN4O3S and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide
PubChem CID83083975
Molecular FormulaC10H11FN4O3S
Molecular Weight286.29 g/mol
Exact Mass286.05
IUPAC Name2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cc(C)ccc2F)n1
InChIInChI=1S/C10H11FN4O3S/c1-6-3-4-7(11)8(5-6)19(16,17)15-9-12-10(18-2)14-13-9/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeySBDLFLAFBOIMEH-UHFFFAOYSA-N
XLogP1.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide (CID 83083975) is 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2cc(C)ccc2F)n1.
What is the InChIKey of 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide?
The InChIKey is SBDLFLAFBOIMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3S/c1-6-3-4-7(11)8(5-6)19(16,17)15-9-12-10(18-2)14-13-9/h3-5H,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide?
2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide has a molecular weight of 286.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 83083975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).