1-(4-chlorophenyl)sulfonylpropan-2-ol

C9H11ClO3S — CID 11031823

IUPAC1-(4-chlorophenyl)sulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyHIZWZVMWPBKLCF-UHFFFAOYSA-N
MW234.70 g/mol
LogP1.49
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonylpropan-2-ol

1-(4-chlorophenyl)sulfonylpropan-2-ol (PubChem CID 11031823) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpropan-2-ol
PubChem CID11031823
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name1-(4-chlorophenyl)sulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyHIZWZVMWPBKLCF-UHFFFAOYSA-N
XLogP1.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpropan-2-ol (CID 11031823) is 1-(4-chlorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpropan-2-ol is CC(O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpropan-2-ol?
The InChIKey is HIZWZVMWPBKLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonylpropan-2-ol?
1-(4-chlorophenyl)sulfonylpropan-2-ol has a molecular weight of 234.70 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 11031823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).