5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide

C13H11FN4O4S3 — CID 71771033

IUPAC5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c(F)c1
InChIInChI=1S/C13H11FN4O4S3/c1-24(19,20)8-2-3-11(9(14)6-8)18-7-10(16-17-18)12-4-5-13(23-12)25(15,21)22/h2-7H,1H3,(H2,15,21,22)
InChIKeyLZUOQRPFMHVHNP-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.19
Rot. Bonds4

About 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide

5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71771033) has the molecular formula C13H11FN4O4S3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71771033
Molecular FormulaC13H11FN4O4S3
Molecular Weight402.45 g/mol
Exact Mass401.99
IUPAC Name5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c(F)c1
InChIInChI=1S/C13H11FN4O4S3/c1-24(19,20)8-2-3-11(9(14)6-8)18-7-10(16-17-18)12-4-5-13(23-12)25(15,21)22/h2-7H,1H3,(H2,15,21,22)
InChIKeyLZUOQRPFMHVHNP-UHFFFAOYSA-N
XLogP1.19
TPSA125.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide (CID 71771033) is 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide is CS(=O)(=O)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c(F)c1.
What is the InChIKey of 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is LZUOQRPFMHVHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O4S3/c1-24(19,20)8-2-3-11(9(14)6-8)18-7-10(16-17-18)12-4-5-13(23-12)25(15,21)22/h2-7H,1H3,(H2,15,21,22).
What are the key properties of 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 402.45 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71771033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).