3-(benzenesulfonyl)cyclopent-2-en-1-one

C11H10O3S — CID 12553274

IUPAC3-(benzenesulfonyl)cyclopent-2-en-1-one
SMILESO=C1C=C(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H10O3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,8H,6-7H2
InChIKeyJQYVLJMTMGZUTN-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.71
Rot. Bonds2

About 3-(benzenesulfonyl)cyclopent-2-en-1-one

3-(benzenesulfonyl)cyclopent-2-en-1-one (PubChem CID 12553274) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(benzenesulfonyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)cyclopent-2-en-1-one
PubChem CID12553274
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name3-(benzenesulfonyl)cyclopent-2-en-1-one
SMILESO=C1C=C(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H10O3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,8H,6-7H2
InChIKeyJQYVLJMTMGZUTN-UHFFFAOYSA-N
XLogP1.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)sulfonylcyclohex-2-en-1-one
CID 135393625
cyclopenten-1-ylsulfonylbenzene
CID 580522
2,5-bis(benzenesulfonyl)-1,3a,4,6a-tetrahydropentalene
CID 22298015
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1,2-bis(benzenesulfonyl)benzene
CID 19980733
benzenesulfonylbenzene;thiolane 1,1-dioxide
CID 70469989
(3aE)-4-(benzenesulfonyl)-3,5,6,7,8,9-hexahydrocyclopenta[8]annulen-2-one
CID 101210731
1-(benzenesulfonyl)cyclohepta-1,3,5-triene
CID 15499467
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzenesulfonylbenzene;oxalic acid
CID 67897674

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(benzenesulfonyl)cyclopent-2-en-1-one (CID 12553274) is 3-(benzenesulfonyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(benzenesulfonyl)cyclopent-2-en-1-one is O=C1C=C(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)cyclopent-2-en-1-one?
The InChIKey is JQYVLJMTMGZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,8H,6-7H2.
What are the key properties of 3-(benzenesulfonyl)cyclopent-2-en-1-one?
3-(benzenesulfonyl)cyclopent-2-en-1-one has a molecular weight of 222.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)cyclopent-2-en-1-one is sourced from PubChem (CID 12553274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).