6-(benzenesulfonyl)hexan-3-ol

C12H18O3S — CID 106808103

IUPAC6-(benzenesulfonyl)hexan-3-ol
SMILESCCC(O)CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-2-11(13)7-6-10-16(14,15)12-8-4-3-5-9-12/h3-5,8-9,11,13H,2,6-7,10H2,1H3
InChIKeyYJFQPHVBCAOWIO-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.01
Rot. Bonds6

About 6-(benzenesulfonyl)hexan-3-ol

6-(benzenesulfonyl)hexan-3-ol (PubChem CID 106808103) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 6-(benzenesulfonyl)hexan-3-ol.

Molecular Properties

Compound Name6-(benzenesulfonyl)hexan-3-ol
PubChem CID106808103
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name6-(benzenesulfonyl)hexan-3-ol
SMILESCCC(O)CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-2-11(13)7-6-10-16(14,15)12-8-4-3-5-9-12/h3-5,8-9,11,13H,2,6-7,10H2,1H3
InChIKeyYJFQPHVBCAOWIO-UHFFFAOYSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
methyl 2,5-bis(benzenesulfonyl)pentanoate
CID 57236804
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456
N-[3-(benzenesulfonyl)propyl]-N-butylbutan-1-amine
CID 71408649
1-(benzenesulfonyl)hept-6-en-3-ol
CID 164677064
(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
CID 94830635
2-fluoroethylsulfonylbenzene
CID 66796542
4-bromobutylsulfonylbenzene
CID 11482789
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)hexan-3-ol?
The IUPAC name of 6-(benzenesulfonyl)hexan-3-ol (CID 106808103) is 6-(benzenesulfonyl)hexan-3-ol.
What is the SMILES notation for 6-(benzenesulfonyl)hexan-3-ol?
The canonical SMILES for 6-(benzenesulfonyl)hexan-3-ol is CCC(O)CCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 6-(benzenesulfonyl)hexan-3-ol?
The InChIKey is YJFQPHVBCAOWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-2-11(13)7-6-10-16(14,15)12-8-4-3-5-9-12/h3-5,8-9,11,13H,2,6-7,10H2,1H3.
What are the key properties of 6-(benzenesulfonyl)hexan-3-ol?
6-(benzenesulfonyl)hexan-3-ol has a molecular weight of 242.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)hexan-3-ol is sourced from PubChem (CID 106808103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).