2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide

C12H16FNO5S2 — CID 43610077

IUPAC2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C12H16FNO5S2/c1-20(15,16)10-2-3-11(13)12(8-10)21(17,18)14-9-4-6-19-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyCVGWEDFOLJRGPQ-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.69
Rot. Bonds4

About 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide

2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 43610077) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID43610077
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C12H16FNO5S2/c1-20(15,16)10-2-3-11(13)12(8-10)21(17,18)14-9-4-6-19-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyCVGWEDFOLJRGPQ-UHFFFAOYSA-N
XLogP0.69
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide (CID 43610077) is 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is CVGWEDFOLJRGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c1-20(15,16)10-2-3-11(13)12(8-10)21(17,18)14-9-4-6-19-7-5-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 337.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 43610077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).