1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide

C5H10F3NO3S — CID 22364411

IUPAC1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide
SMILESCCCC(O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-2-3-4(10)9-13(11,12)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyXDLDTTICGYEWMG-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.54
Rot. Bonds4

About 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide

1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide (PubChem CID 22364411) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide
PubChem CID22364411
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC Name1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide
SMILESCCCC(O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-2-3-4(10)9-13(11,12)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyXDLDTTICGYEWMG-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide 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 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide (CID 22364411) is 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide is CCCC(O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide?
The InChIKey is XDLDTTICGYEWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-2-3-4(10)9-13(11,12)5(6,7)8/h4,9-10H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide?
1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide is sourced from PubChem (CID 22364411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).