5-(4-chlorophenyl)sulfonylpentan-2-ol

C11H15ClO3S — CID 106584912

IUPAC5-(4-chlorophenyl)sulfonylpentan-2-ol
SMILESCC(O)CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-9(13)3-2-8-16(14,15)11-6-4-10(12)5-7-11/h4-7,9,13H,2-3,8H2,1H3
InChIKeyRRZGEWVIEUGISC-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.27
Rot. Bonds5

About 5-(4-chlorophenyl)sulfonylpentan-2-ol

5-(4-chlorophenyl)sulfonylpentan-2-ol (PubChem CID 106584912) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonylpentan-2-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonylpentan-2-ol
PubChem CID106584912
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name5-(4-chlorophenyl)sulfonylpentan-2-ol
SMILESCC(O)CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-9(13)3-2-8-16(14,15)11-6-4-10(12)5-7-11/h4-7,9,13H,2-3,8H2,1H3
InChIKeyRRZGEWVIEUGISC-UHFFFAOYSA-N
XLogP2.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol
CID 115665717
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
6-(4-tert-butylphenyl)sulfonylhexan-2-ol
CID 106585373
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
CID 106807694
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide
CID 47446513

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonylpentan-2-ol?
The IUPAC name of 5-(4-chlorophenyl)sulfonylpentan-2-ol (CID 106584912) is 5-(4-chlorophenyl)sulfonylpentan-2-ol.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonylpentan-2-ol?
The canonical SMILES for 5-(4-chlorophenyl)sulfonylpentan-2-ol is CC(O)CCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonylpentan-2-ol?
The InChIKey is RRZGEWVIEUGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-9(13)3-2-8-16(14,15)11-6-4-10(12)5-7-11/h4-7,9,13H,2-3,8H2,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonylpentan-2-ol?
5-(4-chlorophenyl)sulfonylpentan-2-ol has a molecular weight of 262.76 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonylpentan-2-ol is sourced from PubChem (CID 106584912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).