4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide

C7H14F3NO3S — CID 82903697

IUPAC4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
SMILESCC(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-6(12)5-11-15(13,14)4-2-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyXTSOSXZYQVTBEO-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.63
Rot. Bonds6

About 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide (PubChem CID 82903697) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
PubChem CID82903697
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
SMILESCC(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-6(12)5-11-15(13,14)4-2-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyXTSOSXZYQVTBEO-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide (CID 82903697) is 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide is CC(O)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
The InChIKey is XTSOSXZYQVTBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-6(12)5-11-15(13,14)4-2-3-7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 82903697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).