1-(benzenesulfonyl)cyclopropan-1-ol

C9H10O3S — CID 24799052

IUPAC1-(benzenesulfonyl)cyclopropan-1-ol
SMILESO=S(=O)(c1ccccc1)C1(O)CC1
InChIInChI=1S/C9H10O3S/c10-9(6-7-9)13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyFXNCQNXYJIXOGQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.94
Rot. Bonds2

About 1-(benzenesulfonyl)cyclopropan-1-ol

1-(benzenesulfonyl)cyclopropan-1-ol (PubChem CID 24799052) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(benzenesulfonyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)cyclopropan-1-ol
PubChem CID24799052
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name1-(benzenesulfonyl)cyclopropan-1-ol
SMILESO=S(=O)(c1ccccc1)C1(O)CC1
InChIInChI=1S/C9H10O3S/c10-9(6-7-9)13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyFXNCQNXYJIXOGQ-UHFFFAOYSA-N
XLogP0.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)cyclopropan-1-ol?
The IUPAC name of 1-(benzenesulfonyl)cyclopropan-1-ol (CID 24799052) is 1-(benzenesulfonyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(benzenesulfonyl)cyclopropan-1-ol?
The canonical SMILES for 1-(benzenesulfonyl)cyclopropan-1-ol is O=S(=O)(c1ccccc1)C1(O)CC1.
What is the InChIKey of 1-(benzenesulfonyl)cyclopropan-1-ol?
The InChIKey is FXNCQNXYJIXOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-9(6-7-9)13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 1-(benzenesulfonyl)cyclopropan-1-ol?
1-(benzenesulfonyl)cyclopropan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)cyclopropan-1-ol is sourced from PubChem (CID 24799052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).