(Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one

C15H19FO3S — CID 10661805

IUPAC(Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one
SMILESCCCCCC(=O)/C(F)=C(\C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19FO3S/c1-3-4-6-11-14(17)15(16)12(2)20(18,19)13-9-7-5-8-10-13/h5,7-10H,3-4,6,11H2,1-2H3/b15-12-
InChIKeyNESOMAAEBLXVTQ-QINSGFPZSA-N
MW298.38 g/mol
LogP3.81
Rot. Bonds7

About (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one

(Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one (PubChem CID 10661805) has the molecular formula C15H19FO3S and a molecular weight of 298.38 g/mol. Its IUPAC name is (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one.

Molecular Properties

Compound Name(Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one
PubChem CID10661805
Molecular FormulaC15H19FO3S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name(Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one
SMILESCCCCCC(=O)/C(F)=C(\C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19FO3S/c1-3-4-6-11-14(17)15(16)12(2)20(18,19)13-9-7-5-8-10-13/h5,7-10H,3-4,6,11H2,1-2H3/b15-12-
InChIKeyNESOMAAEBLXVTQ-QINSGFPZSA-N
XLogP3.81
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(Phenylsulfonyl)butan-2-one
CID 11031155
2-(Phenylsulfonyl)cyclohexanone
CID 357759
Phenylsulfonylacetone
CID 735827
5-Benzenesulfonylpentan-2-one
CID 345621
1-(Benzenesulfonyl)-1-fluoropropan-2-one
CID 15685354
1-((4-Fluorophenyl)sulfonyl)propan-2-one
CID 13794941
3-(Benzenesulfonyl)but-3-en-2-one
CID 643267
Phenylsulfonyl-p-benzoquinone
CID 12250780
1-(Benzenesulfonyl)hex-5-en-2-one
CID 12808972
3-(Phenylsulfonyl)-cyclohexan-1-one
CID 12842290
2-(Benzenesulfonyl)-3,3-difluorononan-4-one
CID 10519595
3-(Benzenesulfonyl)-1,1,1-trifluorodecan-2-one
CID 12159891

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one?
The IUPAC name of (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one (CID 10661805) is (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one.
What is the SMILES notation for (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one?
The canonical SMILES for (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one is CCCCCC(=O)/C(F)=C(\C)S(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one?
The InChIKey is NESOMAAEBLXVTQ-QINSGFPZSA-N. The full InChI is InChI=1S/C15H19FO3S/c1-3-4-6-11-14(17)15(16)12(2)20(18,19)13-9-7-5-8-10-13/h5,7-10H,3-4,6,11H2,1-2H3/b15-12-.
What are the key properties of (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one?
(Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one has a molecular weight of 298.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(benzenesulfonyl)-3-fluoronon-2-en-4-one is sourced from PubChem (CID 10661805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).