2-[5-(4-methylphenyl)sulfonylpentoxy]oxane

C17H26O4S — CID 15673877

IUPAC2-[5-(4-methylphenyl)sulfonylpentoxy]oxane
SMILESCc1ccc(S(=O)(=O)CCCCCOC2CCCCO2)cc1
InChIInChI=1S/C17H26O4S/c1-15-8-10-16(11-9-15)22(18,19)14-6-2-4-12-20-17-7-3-5-13-21-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyMSBDKMWENOAICQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.48
Rot. Bonds8

About 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane

2-[5-(4-methylphenyl)sulfonylpentoxy]oxane (PubChem CID 15673877) has the molecular formula C17H26O4S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)sulfonylpentoxy]oxane
PubChem CID15673877
Molecular FormulaC17H26O4S
Molecular Weight326.46 g/mol
Exact Mass326.16
IUPAC Name2-[5-(4-methylphenyl)sulfonylpentoxy]oxane
SMILESCc1ccc(S(=O)(=O)CCCCCOC2CCCCO2)cc1
InChIInChI=1S/C17H26O4S/c1-15-8-10-16(11-9-15)22(18,19)14-6-2-4-12-20-17-7-3-5-13-21-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyMSBDKMWENOAICQ-UHFFFAOYSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-Fluoro-3-(methoxymethoxy)propyl]sulfonyl-4-methylbenzene
CID 121011793
(2,2-Diethoxyethyl)(p-tolyl)sulfane
CID 7015317
2-(2-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
CID 10500486
1-(3,3-Dimethoxypropylsulfonyl)-4-methylbenzene
CID 10901308
1-[1-Fluoro-3-(methoxymethoxy)-2-methylsulfanylpropyl]sulfonyl-4-methylbenzene
CID 134875906
1-[5-(2,2-Dimethoxyethyl)nonan-5-ylsulfonyl]-4-methylbenzene
CID 11132409
Zqqpczykpljyiy-cvearbpzsa-
CID 11197672
1-[1-(2,2-Dimethoxyethyl)cyclohexyl]sulfonyl-4-methylbenzene
CID 134905799
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
CID 135060236
2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998
(2R)-2-(tetrahydro-2H-pyran-2-yloxy)propyl 4-methylbenzenesulfonate
CID 12778177
Tos-PEG4-THP
CID 13558887

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane?
The IUPAC name of 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane (CID 15673877) is 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane.
What is the SMILES notation for 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane?
The canonical SMILES for 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane is Cc1ccc(S(=O)(=O)CCCCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane?
The InChIKey is MSBDKMWENOAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4S/c1-15-8-10-16(11-9-15)22(18,19)14-6-2-4-12-20-17-7-3-5-13-21-17/h8-11,17H,2-7,12-14H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane?
2-[5-(4-methylphenyl)sulfonylpentoxy]oxane has a molecular weight of 326.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)sulfonylpentoxy]oxane is sourced from PubChem (CID 15673877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).