2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

C10H11FN4O4S2 — CID 60983715

IUPAC2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C10H11FN4O4S2/c1-20(16,17)7-2-3-8(11)9(4-7)21(18,19)14-5-10-12-6-13-15-10/h2-4,6,14H,5H2,1H3,(H,12,13,15)
InChIKeyCFPHOKIHMYRPEC-UHFFFAOYSA-N
MW334.35 g/mol
LogP-0.17
Rot. Bonds5

About 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (PubChem CID 60983715) has the molecular formula C10H11FN4O4S2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
PubChem CID60983715
Molecular FormulaC10H11FN4O4S2
Molecular Weight334.35 g/mol
Exact Mass334.02
IUPAC Name2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C10H11FN4O4S2/c1-20(16,17)7-2-3-8(11)9(4-7)21(18,19)14-5-10-12-6-13-15-10/h2-4,6,14H,5H2,1H3,(H,12,13,15)
InChIKeyCFPHOKIHMYRPEC-UHFFFAOYSA-N
XLogP-0.17
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (CID 60983715) is 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NCc2ncn[nH]2)c1.
What is the InChIKey of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is CFPHOKIHMYRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O4S2/c1-20(16,17)7-2-3-8(11)9(4-7)21(18,19)14-5-10-12-6-13-15-10/h2-4,6,14H,5H2,1H3,(H,12,13,15).
What are the key properties of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 334.35 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60983715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).