4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide

C12H16F3NO3S — CID 83059273

IUPAC4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
SMILESCC(O)c1ccc(NS(=O)(=O)CCCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO3S/c1-9(17)10-3-5-11(6-4-10)16-20(18,19)8-2-7-12(13,14)15/h3-6,9,16-17H,2,7-8H2,1H3
InChIKeyJIYBZAJACHJOAY-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.82
Rot. Bonds6

About 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide (PubChem CID 83059273) has the molecular formula C12H16F3NO3S and a molecular weight of 311.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
PubChem CID83059273
Molecular FormulaC12H16F3NO3S
Molecular Weight311.32 g/mol
Exact Mass311.08
IUPAC Name4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
SMILESCC(O)c1ccc(NS(=O)(=O)CCCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO3S/c1-9(17)10-3-5-11(6-4-10)16-20(18,19)8-2-7-12(13,14)15/h3-6,9,16-17H,2,7-8H2,1H3
InChIKeyJIYBZAJACHJOAY-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068409
4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 83059413
N-(3-amino-4-ethylphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067721
N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 60891900
4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
CID 54952609
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
CID 83057926
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
4,4,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)butane-1-sulfonamide
CID 106954586
3-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067949

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide (CID 83059273) is 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide is CC(O)c1ccc(NS(=O)(=O)CCCC(F)(F)F)cc1.
What is the InChIKey of 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
The InChIKey is JIYBZAJACHJOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3S/c1-9(17)10-3-5-11(6-4-10)16-20(18,19)8-2-7-12(13,14)15/h3-6,9,16-17H,2,7-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide has a molecular weight of 311.32 g/mol, XLogP of 2.82, 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-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 83059273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).