4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide

C8H16F3NO3S — CID 104981943

IUPAC4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-2-7(6-13)12-16(14,15)5-3-4-8(9,10)11/h7,12-13H,2-6H2,1H3/t7-/m0/s1
InChIKeyHALRITNZAVSSSR-ZETCQYMHSA-N
MW263.28 g/mol
LogP1.02
Rot. Bonds7

About 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide

4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide (PubChem CID 104981943) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide
PubChem CID104981943
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-2-7(6-13)12-16(14,15)5-3-4-8(9,10)11/h7,12-13H,2-6H2,1H3/t7-/m0/s1
InChIKeyHALRITNZAVSSSR-ZETCQYMHSA-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

Analyze 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide (CID 104981943) is 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide is CC[C@@H](CO)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide?
The InChIKey is HALRITNZAVSSSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-2-7(6-13)12-16(14,15)5-3-4-8(9,10)11/h7,12-13H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]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-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 104981943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).