4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide

C8H16F3NO3S — CID 83059410

IUPAC4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide
SMILESCC(O)CCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(13)3-5-12-16(14,15)6-2-4-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyRCXAVQUHIUMZSJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.02
Rot. Bonds7

About 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide (PubChem CID 83059410) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide
PubChem CID83059410
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide
SMILESCC(O)CCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(13)3-5-12-16(14,15)6-2-4-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyRCXAVQUHIUMZSJ-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.02
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-(3-hydroxybutyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide (CID 83059410) is 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide is CC(O)CCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide?
The InChIKey is RCXAVQUHIUMZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-7(13)3-5-12-16(14,15)6-2-4-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.02, 7 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-(3-hydroxybutyl)butane-1-sulfonamide is sourced from PubChem (CID 83059410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).