4-(benzenesulfonyl)-3-methylbutan-1-ol

C11H16O3S — CID 13358237

IUPAC4-(benzenesulfonyl)-3-methylbutan-1-ol
SMILESCC(CCO)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-10(7-8-12)9-15(13,14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyDFGOTAOEHXQYSQ-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.48
Rot. Bonds5

About 4-(benzenesulfonyl)-3-methylbutan-1-ol

4-(benzenesulfonyl)-3-methylbutan-1-ol (PubChem CID 13358237) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3-methylbutan-1-ol
PubChem CID13358237
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name4-(benzenesulfonyl)-3-methylbutan-1-ol
SMILESCC(CCO)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-10(7-8-12)9-15(13,14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyDFGOTAOEHXQYSQ-UHFFFAOYSA-N
XLogP1.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
1-(benzenesulfonyl)propan-2-amine
CID 62917209
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
CID 139881589
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
3-(benzenesulfonyl)-5-hydroxy-2-methylpentanoic acid
CID 135330971
[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
[[(2S,4R)-5-(benzenesulfonyl)-2,4-dimethylpentoxy]-diphenylmethyl]benzene
CID 175678427

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3-methylbutan-1-ol?
The IUPAC name of 4-(benzenesulfonyl)-3-methylbutan-1-ol (CID 13358237) is 4-(benzenesulfonyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(benzenesulfonyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-(benzenesulfonyl)-3-methylbutan-1-ol is CC(CCO)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-3-methylbutan-1-ol?
The InChIKey is DFGOTAOEHXQYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-10(7-8-12)9-15(13,14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-3-methylbutan-1-ol?
4-(benzenesulfonyl)-3-methylbutan-1-ol has a molecular weight of 228.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3-methylbutan-1-ol is sourced from PubChem (CID 13358237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).