2-(benzenesulfonyl)but-3-en-2-ylbenzene

C16H16O2S — CID 134900402

IUPAC2-(benzenesulfonyl)but-3-en-2-ylbenzene
SMILESC=CC(C)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-3-16(2,14-10-6-4-7-11-14)19(17,18)15-12-8-5-9-13-15/h3-13H,1H2,2H3
InChIKeyAIHGDNDLLQZIQT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.56
Rot. Bonds4

About 2-(benzenesulfonyl)but-3-en-2-ylbenzene

2-(benzenesulfonyl)but-3-en-2-ylbenzene (PubChem CID 134900402) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(benzenesulfonyl)but-3-en-2-ylbenzene.

Molecular Properties

Compound Name2-(benzenesulfonyl)but-3-en-2-ylbenzene
PubChem CID134900402
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-(benzenesulfonyl)but-3-en-2-ylbenzene
SMILESC=CC(C)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-3-16(2,14-10-6-4-7-11-14)19(17,18)15-12-8-5-9-13-15/h3-13H,1H2,2H3
InChIKeyAIHGDNDLLQZIQT-UHFFFAOYSA-N
XLogP3.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonyl)pent-4-en-2-ylbenzene
CID 25111406
benzene;tribromomethylsulfonylbenzene
CID 70302042
(2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid
CID 134877867
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
CID 166095951
[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene
CID 71382071
2,6-bis(benzenesulfonyl)-2,6-diphenylheptan-4-one
CID 174469215
1,4-bis(tribromomethyl)benzene;tribromomethylsulfonylbenzene
CID 174906410
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
triiodomethylsulfonylbenzene
CID 22887646
ethane;trifluoromethylsulfonylbenzene
CID 144556552
3-[(2S)-2-benzylsulfonylbut-3-en-2-yl]pyridine
CID 166439241
(113C)ethenylsulfonylbenzene
CID 66995821

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)but-3-en-2-ylbenzene?
The IUPAC name of 2-(benzenesulfonyl)but-3-en-2-ylbenzene (CID 134900402) is 2-(benzenesulfonyl)but-3-en-2-ylbenzene.
What is the SMILES notation for 2-(benzenesulfonyl)but-3-en-2-ylbenzene?
The canonical SMILES for 2-(benzenesulfonyl)but-3-en-2-ylbenzene is C=CC(C)(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)but-3-en-2-ylbenzene?
The InChIKey is AIHGDNDLLQZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-3-16(2,14-10-6-4-7-11-14)19(17,18)15-12-8-5-9-13-15/h3-13H,1H2,2H3.
What are the key properties of 2-(benzenesulfonyl)but-3-en-2-ylbenzene?
2-(benzenesulfonyl)but-3-en-2-ylbenzene has a molecular weight of 272.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)but-3-en-2-ylbenzene is sourced from PubChem (CID 134900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).