1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide

C4H8F3NO3S — CID 23175136

IUPAC1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide
SMILESO=S(=O)(NCCCO)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c5-4(6,7)12(10,11)8-2-1-3-9/h8-9H,1-3H2
InChIKeyPOKQTLWHFRGWDO-UHFFFAOYSA-N
MW207.17 g/mol
LogP-0.19
Rot. Bonds4

About 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide

1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide (PubChem CID 23175136) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide
PubChem CID23175136
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide
SMILESO=S(=O)(NCCCO)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c5-4(6,7)12(10,11)8-2-1-3-9/h8-9H,1-3H2
InChIKeyPOKQTLWHFRGWDO-UHFFFAOYSA-N
XLogP-0.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-N-(3-hydroxypropyl)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-(3-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide (CID 23175136) is 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide is O=S(=O)(NCCCO)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide?
The InChIKey is POKQTLWHFRGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c5-4(6,7)12(10,11)8-2-1-3-9/h8-9H,1-3H2.
What are the key properties of 1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide has a molecular weight of 207.17 g/mol, XLogP of -0.19, 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-(3-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 23175136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).