4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide

C7H14F3NO3S — CID 66277497

IUPAC4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide
SMILESCC(OCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-6(7(8,9)10)14-4-2-3-5-15(11,12)13/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyZDGQMSXCMZLKOW-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.02
Rot. Bonds6

About 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide

4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide (PubChem CID 66277497) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide
PubChem CID66277497
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide
SMILESCC(OCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-6(7(8,9)10)14-4-2-3-5-15(11,12)13/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyZDGQMSXCMZLKOW-UHFFFAOYSA-N
XLogP1.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1,1,1-trifluoropropan-2-yloxy)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

Related Compounds

2-(Propan-2-yloxy)ethane-1-sulfonamide
CID 54593133
2-(2,2-Difluoroethoxy)ethane-1-sulfonamide
CID 75480961
2-(2,2,2-Trifluoroethoxy)ethane-1-sulfonamide
CID 61490505
3-((1,1,1-Trifluoropropan-2-yl)oxy)propane-1-sulfonyl chloride
CID 66277479
(3S)-3-(trifluoromethoxy)butane-2-sulfonamide
CID 147498682
2-(Difluoromethyl)oxetane-3-sulfonamide
CID 176292974
3-(2,2,2-Trifluoroethoxy)propane-1-sulfonamide
CID 61491401
5-(2,2,2-Trifluoroethoxy)pentane-1-sulfonamide
CID 64201106
4-(2,2,2-Trifluoroethoxy)butane-1-sulfonamide
CID 64201107
4-(2,2,3,3-Tetrafluoropropoxy)butane-1-sulfonamide
CID 64203383
2-Methyl-3-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
CID 64219643
2-(2,2,2-Trifluoroethoxymethyl)butane-1-sulfonamide
CID 64999126

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide (CID 66277497) is 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide is CC(OCCCCS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide?
The InChIKey is ZDGQMSXCMZLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-6(7(8,9)10)14-4-2-3-5-15(11,12)13/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide?
4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-yloxy)butane-1-sulfonamide is sourced from PubChem (CID 66277497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).