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

C9H11ClO3S — CID 131862935

IUPAC(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
SMILESC[C@@H](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/t7-/m1/s1
InChIKeyHIZWZVMWPBKLCF-SSDOTTSWSA-N
MW234.70 g/mol
LogP1.49
Rot. Bonds3

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

(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol (PubChem CID 131862935) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
PubChem CID131862935
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
SMILESC[C@@H](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/t7-/m1/s1
InChIKeyHIZWZVMWPBKLCF-SSDOTTSWSA-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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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
ethyl 3-(4-chlorophenyl)sulfonyl-2-hydroxypropanoate
CID 22086033
4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol
CID 115665717
2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
CID 106584901
(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol
CID 7085860
2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
CID 106584920
1-(4-chlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476465
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697562

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol?
The IUPAC name of (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol (CID 131862935) is (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol is C[C@@H](O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol?
The InChIKey is HIZWZVMWPBKLCF-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol?
(2R)-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 (2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 131862935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).