4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide

C9H16F3NO2S — CID 115967652

IUPAC4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-2-3-4-7-13-16(14,15)8-5-6-9(10,11)12/h2-3,13H,4-8H2,1H3/b3-2+
InChIKeyGJHQEYOQSUQGMJ-NSCUHMNNSA-N
MW259.29 g/mol
LogP2.21
Rot. Bonds7

About 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide (PubChem CID 115967652) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
PubChem CID115967652
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-2-3-4-7-13-16(14,15)8-5-6-9(10,11)12/h2-3,13H,4-8H2,1H3/b3-2+
InChIKeyGJHQEYOQSUQGMJ-NSCUHMNNSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-N-[(E)-pent-3-enyl]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

(1E)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
CID 56942414
(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
CID 56942559
2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
CID 76468763
N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide
CID 91217457
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
4-methyl-N-(1,1,1-trifluoropropan-2-yl)hepta-1,3,5-triene-3-sulfonamide
CID 123537012
1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide
CID 163881456
N-2,7-octadienyl-n-butanesulfonamide
CID 129812590
1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
CID 91325730
1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628751
N-but-3-enyl-4,4,4-trifluorobutane-1-sulfonamide
CID 116033652
1,1,1-trifluoro-N-[(E)-3-triethylgermylpent-3-enyl]methanesulfonamide
CID 122366096

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide (CID 115967652) is 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide is C/C=C/CCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide?
The InChIKey is GJHQEYOQSUQGMJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-2-3-4-7-13-16(14,15)8-5-6-9(10,11)12/h2-3,13H,4-8H2,1H3/b3-2+.
What are the key properties of 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide is sourced from PubChem (CID 115967652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).