1-cyclopentylidenehexylsulfonylbenzene

C17H24O2S — CID 12022057

IUPAC1-cyclopentylidenehexylsulfonylbenzene
SMILESCCCCCC(=C1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H24O2S/c1-2-3-5-14-17(15-10-8-9-11-15)20(18,19)16-12-6-4-7-13-16/h4,6-7,12-13H,2-3,5,8-11,14H2,1H3
InChIKeyPVRTWZLKVIJXGM-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.87
Rot. Bonds6

About 1-cyclopentylidenehexylsulfonylbenzene

1-cyclopentylidenehexylsulfonylbenzene (PubChem CID 12022057) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-cyclopentylidenehexylsulfonylbenzene.

Molecular Properties

Compound Name1-cyclopentylidenehexylsulfonylbenzene
PubChem CID12022057
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name1-cyclopentylidenehexylsulfonylbenzene
SMILESCCCCCC(=C1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H24O2S/c1-2-3-5-14-17(15-10-8-9-11-15)20(18,19)16-12-6-4-7-13-16/h4,6-7,12-13H,2-3,5,8-11,14H2,1H3
InChIKeyPVRTWZLKVIJXGM-UHFFFAOYSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylideneethylsulfonylbenzene
CID 12022055
1-(benzenesulfonyl)pentadecan-2-one
CID 10915541
[1-(benzenesulfonyl)-1-phenylocta-1,2-dien-3-yl]benzene
CID 86049180
benzenesulfonic acid;nonane
CID 158294552
[(Z)-1-fluorooct-1-enyl]sulfonylbenzene
CID 23237157
(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol
CID 10643896
benzenesulfonyl docosanoate
CID 140514307
sodium;benzenesulfonic acid;nonanoate
CID 175280756
[(E)-3-methyldodec-2-enyl]sulfonylbenzene
CID 10990909
benzenesulfonic acid;sulfo hexanoate
CID 88733757
CID 172802375
CID 172802375
sodium;benzenesulfonate;dodecane
CID 23720024

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylidenehexylsulfonylbenzene?
The IUPAC name of 1-cyclopentylidenehexylsulfonylbenzene (CID 12022057) is 1-cyclopentylidenehexylsulfonylbenzene.
What is the SMILES notation for 1-cyclopentylidenehexylsulfonylbenzene?
The canonical SMILES for 1-cyclopentylidenehexylsulfonylbenzene is CCCCCC(=C1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-cyclopentylidenehexylsulfonylbenzene?
The InChIKey is PVRTWZLKVIJXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-2-3-5-14-17(15-10-8-9-11-15)20(18,19)16-12-6-4-7-13-16/h4,6-7,12-13H,2-3,5,8-11,14H2,1H3.
What are the key properties of 1-cyclopentylidenehexylsulfonylbenzene?
1-cyclopentylidenehexylsulfonylbenzene has a molecular weight of 292.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylidenehexylsulfonylbenzene is sourced from PubChem (CID 12022057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).