N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide

C11H20FNO2S — CID 143860161

IUPACN-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
SMILESCC/C=C\C=C(/CF)CCNS(=O)(=O)CC
InChIInChI=1S/C11H20FNO2S/c1-3-5-6-7-11(10-12)8-9-13-16(14,15)4-2/h5-7,13H,3-4,8-10H2,1-2H3/b6-5-,11-7-
InChIKeyWVAZBOMGWCYUGM-FUVGTJSASA-N
MW249.35 g/mol
LogP2.18
Rot. Bonds8

About N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide

N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide (PubChem CID 143860161) has the molecular formula C11H20FNO2S and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
PubChem CID143860161
Molecular FormulaC11H20FNO2S
Molecular Weight249.35 g/mol
Exact Mass249.12
IUPAC NameN-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
SMILESCC/C=C\C=C(/CF)CCNS(=O)(=O)CC
InChIInChI=1S/C11H20FNO2S/c1-3-5-6-7-11(10-12)8-9-13-16(14,15)4-2/h5-7,13H,3-4,8-10H2,1-2H3/b6-5-,11-7-
InChIKeyWVAZBOMGWCYUGM-FUVGTJSASA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[3-(trifluoromethyl)hepta-2,4-dienylsulfonyl]propan-1-amine
CID 123314763
5-prop-1-en-2-yl-N-(1,1,1-trifluoropropan-2-yl)octa-2,4,6-triene-4-sulfonamide
CID 123347096
4-methyl-N-(1,1,1-trifluoropropan-2-yl)hepta-1,3,5-triene-3-sulfonamide
CID 123537012
(2E,4Z)-2-fluoro-N-[2-(iodoamino)ethyl]octa-2,4,7-triene-1-sulfonamide
CID 167138483
(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
CID 115967652
(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide
CID 142953292
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-butylcyclohexa-2,4-diene-1-sulfonamide
CID 69775508

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide?
The IUPAC name of N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide (CID 143860161) is N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide.
What is the SMILES notation for N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide?
The canonical SMILES for N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide is CC/C=C\C=C(/CF)CCNS(=O)(=O)CC.
What is the InChIKey of N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide?
The InChIKey is WVAZBOMGWCYUGM-FUVGTJSASA-N. The full InChI is InChI=1S/C11H20FNO2S/c1-3-5-6-7-11(10-12)8-9-13-16(14,15)4-2/h5-7,13H,3-4,8-10H2,1-2H3/b6-5-,11-7-.
What are the key properties of N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide?
N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide has a molecular weight of 249.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide is sourced from PubChem (CID 143860161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).