4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide

C10H14F3NO3S2 — CID 104600291

IUPAC4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC(O)c1ccsc1
InChIInChI=1S/C10H14F3NO3S2/c11-10(12,13)3-1-5-19(16,17)14-6-9(15)8-2-4-18-7-8/h2,4,7,9,14-15H,1,3,5-6H2
InChIKeyIEFAMRNJHDMCAA-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.04
Rot. Bonds7

About 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide (PubChem CID 104600291) has the molecular formula C10H14F3NO3S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
PubChem CID104600291
Molecular FormulaC10H14F3NO3S2
Molecular Weight317.35 g/mol
Exact Mass317.04
IUPAC Name4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC(O)c1ccsc1
InChIInChI=1S/C10H14F3NO3S2/c11-10(12,13)3-1-5-19(16,17)14-6-9(15)8-2-4-18-7-8/h2,4,7,9,14-15H,1,3,5-6H2
InChIKeyIEFAMRNJHDMCAA-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)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-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide (CID 104600291) is 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC(O)c1ccsc1.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
The InChIKey is IEFAMRNJHDMCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3S2/c11-10(12,13)3-1-5-19(16,17)14-6-9(15)8-2-4-18-7-8/h2,4,7,9,14-15H,1,3,5-6H2.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 104600291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).