4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide

C7H5F4NO4S2 — CID 25058452

IUPAC4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C7H5F4NO4S2/c8-5-2-1-4(18(12,15)16)3-6(5)17(13,14)7(9,10)11/h1-3H,(H2,12,15,16)
InChIKeyJOESWBMGEGYULU-UHFFFAOYSA-N
MW307.25 g/mol
LogP0.77
Rot. Bonds2

About 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide

4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide (PubChem CID 25058452) has the molecular formula C7H5F4NO4S2 and a molecular weight of 307.25 g/mol. Its IUPAC name is 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide
PubChem CID25058452
Molecular FormulaC7H5F4NO4S2
Molecular Weight307.25 g/mol
Exact Mass306.96
IUPAC Name4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C7H5F4NO4S2/c8-5-2-1-4(18(12,15)16)3-6(5)17(13,14)7(9,10)11/h1-3H,(H2,12,15,16)
InChIKeyJOESWBMGEGYULU-UHFFFAOYSA-N
XLogP0.77
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide (CID 25058452) is 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is JOESWBMGEGYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO4S2/c8-5-2-1-4(18(12,15)16)3-6(5)17(13,14)7(9,10)11/h1-3H,(H2,12,15,16).
What are the key properties of 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide?
4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 307.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 25058452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).