2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol

C11H13ClO3S — CID 106585025

IUPAC2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol
SMILESO=S(=O)(CC(O)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3S/c12-9-2-1-3-10(6-9)16(14,15)7-11(13)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2
InChIKeyFVGHTQUKQVJFME-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.88
Rot. Bonds4

About 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol

2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol (PubChem CID 106585025) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol
PubChem CID106585025
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Name2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol
SMILESO=S(=O)(CC(O)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3S/c12-9-2-1-3-10(6-9)16(14,15)7-11(13)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2
InChIKeyFVGHTQUKQVJFME-UHFFFAOYSA-N
XLogP1.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64675422
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CID 30037407
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
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CID 28753143
2-(3-chlorophenyl)-1-cycloheptylethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol (CID 106585025) is 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol is O=S(=O)(CC(O)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol?
The InChIKey is FVGHTQUKQVJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c12-9-2-1-3-10(6-9)16(14,15)7-11(13)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol?
2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol has a molecular weight of 260.74 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol is sourced from PubChem (CID 106585025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).