4-(benzenesulfonyl)pentan-2-ol

C11H16O3S — CID 12920591

IUPAC4-(benzenesulfonyl)pentan-2-ol
SMILESCC(O)CC(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-9(12)8-10(2)15(13,14)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKeyPTZBGODUYNREMF-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.62
Rot. Bonds4

About 4-(benzenesulfonyl)pentan-2-ol

4-(benzenesulfonyl)pentan-2-ol (PubChem CID 12920591) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-(benzenesulfonyl)pentan-2-ol.

Molecular Properties

Compound Name4-(benzenesulfonyl)pentan-2-ol
PubChem CID12920591
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name4-(benzenesulfonyl)pentan-2-ol
SMILESCC(O)CC(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-9(12)8-10(2)15(13,14)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKeyPTZBGODUYNREMF-UHFFFAOYSA-N
XLogP1.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
benzenesulfonic acid;pentane-2,4-diol
CID 88719615
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
4-(benzenesulfonyl)-N-propylpentan-2-amine
CID 64704973
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol
CID 10806076
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
CID 12842280
1-bromoethylsulfonylbenzene
CID 13411545
benzenesulfonyl(phenyl)methanol
CID 174895803

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)pentan-2-ol?
The IUPAC name of 4-(benzenesulfonyl)pentan-2-ol (CID 12920591) is 4-(benzenesulfonyl)pentan-2-ol.
What is the SMILES notation for 4-(benzenesulfonyl)pentan-2-ol?
The canonical SMILES for 4-(benzenesulfonyl)pentan-2-ol is CC(O)CC(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)pentan-2-ol?
The InChIKey is PTZBGODUYNREMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-9(12)8-10(2)15(13,14)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)pentan-2-ol?
4-(benzenesulfonyl)pentan-2-ol has a molecular weight of 228.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)pentan-2-ol is sourced from PubChem (CID 12920591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).