[(Z)-but-2-enyl]sulfonylmethylbenzene

C11H14O2S — CID 13353863

IUPAC[(Z)-but-2-enyl]sulfonylmethylbenzene
SMILESC/C=C\CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H14O2S/c1-2-3-9-14(12,13)10-11-7-5-4-6-8-11/h2-8H,9-10H2,1H3/b3-2-
InChIKeyVBDZEMXCIHUOHC-IHWYPQMZSA-N
MW210.30 g/mol
LogP2.18
Rot. Bonds4

About [(Z)-but-2-enyl]sulfonylmethylbenzene

[(Z)-but-2-enyl]sulfonylmethylbenzene (PubChem CID 13353863) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is [(Z)-but-2-enyl]sulfonylmethylbenzene.

Molecular Properties

Compound Name[(Z)-but-2-enyl]sulfonylmethylbenzene
PubChem CID13353863
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name[(Z)-but-2-enyl]sulfonylmethylbenzene
SMILESC/C=C\CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H14O2S/c1-2-3-9-14(12,13)10-11-7-5-4-6-8-11/h2-8H,9-10H2,1H3/b3-2-
InChIKeyVBDZEMXCIHUOHC-IHWYPQMZSA-N
XLogP2.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.18
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

3-but-2-enylsulfonylpropylbenzene
CID 76865479
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
8-benzylsulfonyloctanoic acid
CID 66874848
(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane
CID 10544593
benzylsulfonylmethyl(oxo)sulfanium;hydrochloride
CID 173414303
3-bromoprop-1-enylsulfonylmethylbenzene
CID 73028259
pent-3-enylbenzene
CID 519421
2,2-dimethoxyethylsulfonylmethylbenzene
CID 66221543
N-(benzylsulfonylmethyl)propan-1-amine
CID 173193480
3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
2-[(3-methylphenyl)methylsulfonyl]acetaldehyde
CID 66221981
4-(benzylsulfonylmethyl)benzoic acid
CID 43444416

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-enyl]sulfonylmethylbenzene?
The IUPAC name of [(Z)-but-2-enyl]sulfonylmethylbenzene (CID 13353863) is [(Z)-but-2-enyl]sulfonylmethylbenzene.
What is the SMILES notation for [(Z)-but-2-enyl]sulfonylmethylbenzene?
The canonical SMILES for [(Z)-but-2-enyl]sulfonylmethylbenzene is C/C=C\CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of [(Z)-but-2-enyl]sulfonylmethylbenzene?
The InChIKey is VBDZEMXCIHUOHC-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H14O2S/c1-2-3-9-14(12,13)10-11-7-5-4-6-8-11/h2-8H,9-10H2,1H3/b3-2-.
What are the key properties of [(Z)-but-2-enyl]sulfonylmethylbenzene?
[(Z)-but-2-enyl]sulfonylmethylbenzene has a molecular weight of 210.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-enyl]sulfonylmethylbenzene is sourced from PubChem (CID 13353863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).