8-(benzenesulfonyl)pentadecan-7-ol

C21H36O3S — CID 10970640

IUPAC8-(benzenesulfonyl)pentadecan-7-ol
SMILESCCCCCCCC(C(O)CCCCCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H36O3S/c1-3-5-7-9-14-18-21(20(22)17-13-8-6-4-2)25(23,24)19-15-11-10-12-16-19/h10-12,15-16,20-22H,3-9,13-14,17-18H2,1-2H3
InChIKeyZHKIDQOSQUSNLT-UHFFFAOYSA-N
MW368.58 g/mol
LogP5.52
Rot. Bonds14

About 8-(benzenesulfonyl)pentadecan-7-ol

8-(benzenesulfonyl)pentadecan-7-ol (PubChem CID 10970640) has the molecular formula C21H36O3S and a molecular weight of 368.58 g/mol. Its IUPAC name is 8-(benzenesulfonyl)pentadecan-7-ol.

Molecular Properties

Compound Name8-(benzenesulfonyl)pentadecan-7-ol
PubChem CID10970640
Molecular FormulaC21H36O3S
Molecular Weight368.58 g/mol
Exact Mass368.24
IUPAC Name8-(benzenesulfonyl)pentadecan-7-ol
SMILESCCCCCCCC(C(O)CCCCCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H36O3S/c1-3-5-7-9-14-18-21(20(22)17-13-8-6-4-2)25(23,24)19-15-11-10-12-16-19/h10-12,15-16,20-22H,3-9,13-14,17-18H2,1-2H3
InChIKeyZHKIDQOSQUSNLT-UHFFFAOYSA-N
XLogP5.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.58
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
11-(Benzenesulfonyl)undeca-2,9-diyn-1-ol
CID 44326840
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
2-Octoxyethylsulfonylbenzene
CID 44377556
1-(Benzenesulfonyl)propan-2-ol
CID 547258
1-(Phenylsulfanyl)-2-octanol
CID 11276474
1-(Phenylsulfinyl)propan-2-ol
CID 12619450
3-(Benzenesulfonyl)cyclobutan-1-ol
CID 12442438
1-(2-Fluoro-1,1,3,3-tetraoxo-1lambda6,3lambda6-benzodithiol-2-yl)nonan-1-ol
CID 135004518
12,12-Difluoro-12-(phenylsulfonyl)dodecan-1-ol
CID 163297686
1,1-Bis(phenylsulfanyl)octan-2-ol
CID 12499757
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)pentadecan-7-ol?
The IUPAC name of 8-(benzenesulfonyl)pentadecan-7-ol (CID 10970640) is 8-(benzenesulfonyl)pentadecan-7-ol.
What is the SMILES notation for 8-(benzenesulfonyl)pentadecan-7-ol?
The canonical SMILES for 8-(benzenesulfonyl)pentadecan-7-ol is CCCCCCCC(C(O)CCCCCC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 8-(benzenesulfonyl)pentadecan-7-ol?
The InChIKey is ZHKIDQOSQUSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3S/c1-3-5-7-9-14-18-21(20(22)17-13-8-6-4-2)25(23,24)19-15-11-10-12-16-19/h10-12,15-16,20-22H,3-9,13-14,17-18H2,1-2H3.
What are the key properties of 8-(benzenesulfonyl)pentadecan-7-ol?
8-(benzenesulfonyl)pentadecan-7-ol has a molecular weight of 368.58 g/mol, XLogP of 5.52, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)pentadecan-7-ol is sourced from PubChem (CID 10970640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).