but-2-en-2-ylsulfonylbenzene

C10H12O2S — CID 85377514

IUPACbut-2-en-2-ylsulfonylbenzene
SMILESCC=C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h3-8H,1-2H3
InChIKeyMOEOUHUWFRMXEI-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.38
Rot. Bonds2

About but-2-en-2-ylsulfonylbenzene

but-2-en-2-ylsulfonylbenzene (PubChem CID 85377514) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is but-2-en-2-ylsulfonylbenzene.

Molecular Properties

Compound Namebut-2-en-2-ylsulfonylbenzene
PubChem CID85377514
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Namebut-2-en-2-ylsulfonylbenzene
SMILESCC=C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h3-8H,1-2H3
InChIKeyMOEOUHUWFRMXEI-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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buta-2,3-dien-2-ylsulfonylbenzene
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(E)-1-(benzenesulfonyl)prop-1-en-2-ol
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[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylbenzene
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CID 134090409
1-cyclopentylideneethylsulfonylbenzene
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benzenesulfonylbenzene;ethane;methanol
CID 123145310
2-chloroprop-1-enylsulfonylbenzene
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Frequently Asked Questions

What is the IUPAC name of but-2-en-2-ylsulfonylbenzene?
The IUPAC name of but-2-en-2-ylsulfonylbenzene (CID 85377514) is but-2-en-2-ylsulfonylbenzene.
What is the SMILES notation for but-2-en-2-ylsulfonylbenzene?
The canonical SMILES for but-2-en-2-ylsulfonylbenzene is CC=C(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of but-2-en-2-ylsulfonylbenzene?
The InChIKey is MOEOUHUWFRMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h3-8H,1-2H3.
What are the key properties of but-2-en-2-ylsulfonylbenzene?
but-2-en-2-ylsulfonylbenzene has a molecular weight of 196.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-ylsulfonylbenzene is sourced from PubChem (CID 85377514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).