(113C)ethenylsulfonylbenzene

C8H8O2S — CID 66995821

IUPAC(113C)ethenylsulfonylbenzene
SMILESC=[13CH]S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2/i2+1
InChIKeyUJTPZISIAWDGFF-VQEHIDDOSA-N
MW169.21 g/mol
LogP1.60
Rot. Bonds2

About (113C)ethenylsulfonylbenzene

(113C)ethenylsulfonylbenzene (PubChem CID 66995821) has the molecular formula C8H8O2S and a molecular weight of 169.21 g/mol. Its IUPAC name is (113C)ethenylsulfonylbenzene.

Molecular Properties

Compound Name(113C)ethenylsulfonylbenzene
PubChem CID66995821
Molecular FormulaC8H8O2S
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name(113C)ethenylsulfonylbenzene
SMILESC=[13CH]S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2/i2+1
InChIKeyUJTPZISIAWDGFF-VQEHIDDOSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzenesulfonic acid;ethenamine
CID 175283513
benzenesulfonic acid;manganese
CID 87184776
1-bromo-4-ethenylsulfonylbenzene
CID 13492339
1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene
CID 57241230
benzenesulfonic acid
CID 87196622
1-ethenylsulfonyl-3-methylbenzene
CID 62950196
1-chloro-3-ethenylsulfonylbenzene
CID 62950197
1-ethenyl-3-ethenylsulfonylbenzene
CID 21019423
potassium benzenesulfonic acid
CID 19930600
benzenesulfonic acid;silane
CID 175365915
tricalcium;benzenesulfonic acid;hydride
CID 173198982
benzenesulfonic acid;mercury(1+);hydrate
CID 21150893

Frequently Asked Questions

What is the IUPAC name of (113C)ethenylsulfonylbenzene?
The IUPAC name of (113C)ethenylsulfonylbenzene (CID 66995821) is (113C)ethenylsulfonylbenzene.
What is the SMILES notation for (113C)ethenylsulfonylbenzene?
The canonical SMILES for (113C)ethenylsulfonylbenzene is C=[13CH]S(=O)(=O)c1ccccc1.
What is the InChIKey of (113C)ethenylsulfonylbenzene?
The InChIKey is UJTPZISIAWDGFF-VQEHIDDOSA-N. The full InChI is InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2/i2+1.
What are the key properties of (113C)ethenylsulfonylbenzene?
(113C)ethenylsulfonylbenzene has a molecular weight of 169.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (113C)ethenylsulfonylbenzene is sourced from PubChem (CID 66995821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).