1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone

C11H11ClO3S — CID 115048354

IUPAC1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone
SMILESCC(=O)C1(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H11ClO3S/c1-8(13)11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7H,5-6H2,1H3
InChIKeyBIZQXYVVVXNZGC-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.24
Rot. Bonds3

About 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone

1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone (PubChem CID 115048354) has the molecular formula C11H11ClO3S and a molecular weight of 258.73 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone
PubChem CID115048354
Molecular FormulaC11H11ClO3S
Molecular Weight258.73 g/mol
Exact Mass258.01
IUPAC Name1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone
SMILESCC(=O)C1(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H11ClO3S/c1-8(13)11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7H,5-6H2,1H3
InChIKeyBIZQXYVVVXNZGC-UHFFFAOYSA-N
XLogP2.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone?
The IUPAC name of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone (CID 115048354) is 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone?
The canonical SMILES for 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone is CC(=O)C1(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone?
The InChIKey is BIZQXYVVVXNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3S/c1-8(13)11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone?
1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone has a molecular weight of 258.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone is sourced from PubChem (CID 115048354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).