1-[2-(benzenesulfonyl)cyclopropyl]ethanone

C11H12O3S — CID 24975351

IUPAC1-[2-(benzenesulfonyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O3S/c1-8(12)10-7-11(10)15(13,14)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
InChIKeyONRFHUOSHZEJQW-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(benzenesulfonyl)cyclopropyl]ethanone

1-[2-(benzenesulfonyl)cyclopropyl]ethanone (PubChem CID 24975351) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)cyclopropyl]ethanone
PubChem CID24975351
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name1-[2-(benzenesulfonyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O3S/c1-8(12)10-7-11(10)15(13,14)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
InChIKeyONRFHUOSHZEJQW-UHFFFAOYSA-N
XLogP1.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4R,5S)-4-(benzenesulfonyl)-5-chlorocyclohexane-1,2-dicarboxylic acid
CID 92801240
1-[(3S,4S)-4-(benzenesulfonyl)-1-benzylpyrrolidin-3-yl]ethanone
CID 135050189
(3S,4R)-4-(benzenesulfonyl)pyrrolidine-3-carboxylic acid
CID 97184046
(1R,2S,4S,5S)-4-(benzenesulfonyl)-5-chlorocyclohexane-1,2-dicarboxylate
CID 11921533
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
4-(benzenesulfonyl)-6-methyloxan-3-ol
CID 101176023
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
CID 99999364
1-[(1S,6R)-6-(benzenesulfonyl)-3,4-dimethylcyclohex-3-en-1-yl]-2,2,2-trifluoroethanone
CID 102572086
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol
CID 15444149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(benzenesulfonyl)cyclopropyl]ethanone (CID 24975351) is 1-[2-(benzenesulfonyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(benzenesulfonyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(benzenesulfonyl)cyclopropyl]ethanone is CC(=O)C1CC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)cyclopropyl]ethanone?
The InChIKey is ONRFHUOSHZEJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c1-8(12)10-7-11(10)15(13,14)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3.
What are the key properties of 1-[2-(benzenesulfonyl)cyclopropyl]ethanone?
1-[2-(benzenesulfonyl)cyclopropyl]ethanone has a molecular weight of 224.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)cyclopropyl]ethanone is sourced from PubChem (CID 24975351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).