(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide

C11H18F3NO2S — CID 56942559

IUPAC(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
SMILESCC(C)=CCC/C(C)=C\S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3NO2S/c1-9(2)5-4-6-10(3)7-18(16,17)15-8-11(12,13)14/h5,7,15H,4,6,8H2,1-3H3/b10-7-
InChIKeyBKWXNOAGSMUQCE-YFHOEESVSA-N
MW285.33 g/mol
LogP3.12
Rot. Bonds6

About (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide

(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide (PubChem CID 56942559) has the molecular formula C11H18F3NO2S and a molecular weight of 285.33 g/mol. Its IUPAC name is (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
PubChem CID56942559
Molecular FormulaC11H18F3NO2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC Name(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
SMILESCC(C)=CCC/C(C)=C\S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3NO2S/c1-9(2)5-4-6-10(3)7-18(16,17)15-8-11(12,13)14/h5,7,15H,4,6,8H2,1-3H3/b10-7-
InChIKeyBKWXNOAGSMUQCE-YFHOEESVSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide?
The IUPAC name of (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide (CID 56942559) is (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide.
What is the SMILES notation for (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide?
The canonical SMILES for (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide is CC(C)=CCC/C(C)=C\S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide?
The InChIKey is BKWXNOAGSMUQCE-YFHOEESVSA-N. The full InChI is InChI=1S/C11H18F3NO2S/c1-9(2)5-4-6-10(3)7-18(16,17)15-8-11(12,13)14/h5,7,15H,4,6,8H2,1-3H3/b10-7-.
What are the key properties of (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide?
(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide is sourced from PubChem (CID 56942559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).