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

C9H9FN4O4S2 — CID 62944986

IUPAC2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C9H9FN4O4S2/c1-19(15,16)6-2-3-7(10)8(4-6)20(17,18)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyYMAXAYIWCFMCFK-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.15
Rot. Bonds4

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

2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 62944986) has the molecular formula C9H9FN4O4S2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID62944986
Molecular FormulaC9H9FN4O4S2
Molecular Weight320.33 g/mol
Exact Mass320.00
IUPAC Name2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C9H9FN4O4S2/c1-19(15,16)6-2-3-7(10)8(4-6)20(17,18)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyYMAXAYIWCFMCFK-UHFFFAOYSA-N
XLogP0.15
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62945149
4-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 116527788
2,4-difluoro-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62946304
3,5-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55152036
3-fluoro-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 82854963
2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55153733
N-ethoxy-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 64973761
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
CID 122236189
N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide
CID 61217431
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
2-fluoro-3-methyl-5-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoic acid
CID 81434979
3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944136

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 62944986) is 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is YMAXAYIWCFMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O4S2/c1-19(15,16)6-2-3-7(10)8(4-6)20(17,18)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 320.33 g/mol, XLogP of 0.15, 4 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-yl)benzenesulfonamide is sourced from PubChem (CID 62944986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).