2-(benzenesulfonyl)pentan-3-ol

C11H16O3S — CID 62918399

IUPAC2-(benzenesulfonyl)pentan-3-ol
SMILESCCC(O)C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-3-11(12)9(2)15(13,14)10-7-5-4-6-8-10/h4-9,11-12H,3H2,1-2H3
InChIKeyRQTQNKZTPFZKDI-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.62
Rot. Bonds4

About 2-(benzenesulfonyl)pentan-3-ol

2-(benzenesulfonyl)pentan-3-ol (PubChem CID 62918399) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)pentan-3-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)pentan-3-ol
PubChem CID62918399
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-(benzenesulfonyl)pentan-3-ol
SMILESCCC(O)C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-3-11(12)9(2)15(13,14)10-7-5-4-6-8-10/h4-9,11-12H,3H2,1-2H3
InChIKeyRQTQNKZTPFZKDI-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-(4-tert-butylphenyl)sulfonylpentan-3-ol
CID 106585369
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
3-(benzenesulfonyl)heptan-4-ol
CID 62918058
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335
1-methylsulfanylpropylsulfonylbenzene
CID 10680987
benzenesulfonyl(phenyl)methanol
CID 174895803
1-bromoethylsulfonylbenzene
CID 13411545
2-(benzenesulfonyl)-1-(4-ethylphenyl)propan-1-amine
CID 62918394

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)pentan-3-ol?
The IUPAC name of 2-(benzenesulfonyl)pentan-3-ol (CID 62918399) is 2-(benzenesulfonyl)pentan-3-ol.
What is the SMILES notation for 2-(benzenesulfonyl)pentan-3-ol?
The canonical SMILES for 2-(benzenesulfonyl)pentan-3-ol is CCC(O)C(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)pentan-3-ol?
The InChIKey is RQTQNKZTPFZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-3-11(12)9(2)15(13,14)10-7-5-4-6-8-10/h4-9,11-12H,3H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)pentan-3-ol?
2-(benzenesulfonyl)pentan-3-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 2-(benzenesulfonyl)pentan-3-ol is sourced from PubChem (CID 62918399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).