N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide

C8H12F3NO2S — CID 91254200

IUPACN-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide
SMILESC=CC(=CC)S(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C8H12F3NO2S/c1-4-7(5-2)15(13,14)12-6(3)8(9,10)11/h4-6,12H,1H2,2-3H3
InChIKeyIRHBQMGJUGEAKG-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.95
Rot. Bonds4

About N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide

N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide (PubChem CID 91254200) has the molecular formula C8H12F3NO2S and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide
PubChem CID91254200
Molecular FormulaC8H12F3NO2S
Molecular Weight243.25 g/mol
Exact Mass243.05
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide
SMILESC=CC(=CC)S(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C8H12F3NO2S/c1-4-7(5-2)15(13,14)12-6(3)8(9,10)11/h4-6,12H,1H2,2-3H3
InChIKeyIRHBQMGJUGEAKG-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-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

N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide
CID 91217457
4-methyl-N-(1,1,1-trifluoropropan-2-yl)hepta-1,3,5-triene-3-sulfonamide
CID 123537012
N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
CID 123865111
N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 129294982
N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294987
N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294993
N-[(2Z)-4-fluoropenta-2,4-dienyl]propane-1-sulfonamide
CID 169683305
(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
CID 162588460
(2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide
CID 146342704
(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
CID 164860198

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide (CID 91254200) is N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide is C=CC(=CC)S(=O)(=O)NC(C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide?
The InChIKey is IRHBQMGJUGEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2S/c1-4-7(5-2)15(13,14)12-6(3)8(9,10)11/h4-6,12H,1H2,2-3H3.
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide?
N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide has a molecular weight of 243.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide is sourced from PubChem (CID 91254200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).