(3-cyclohexylsulfonylphenyl)-diphenylsulfanium

C24H25O2S2+ — CID 155764700

IUPAC(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
SMILESO=S(=O)(c1cccc([S+](c2ccccc2)c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C24H25O2S2/c25-28(26,23-16-8-3-9-17-23)24-18-10-15-22(19-24)27(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,10-15,18-19,23H,3,8-9,16-17H2/q+1
InChIKeyKUCZRQGGITYUBX-UHFFFAOYSA-N
MW409.60 g/mol
LogP5.89
Rot. Bonds5

About (3-cyclohexylsulfonylphenyl)-diphenylsulfanium

(3-cyclohexylsulfonylphenyl)-diphenylsulfanium (PubChem CID 155764700) has the molecular formula C24H25O2S2+ and a molecular weight of 409.60 g/mol. Its IUPAC name is (3-cyclohexylsulfonylphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
PubChem CID155764700
Molecular FormulaC24H25O2S2+
Molecular Weight409.60 g/mol
Exact Mass409.13
IUPAC Name(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
SMILESO=S(=O)(c1cccc([S+](c2ccccc2)c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C24H25O2S2/c25-28(26,23-16-8-3-9-17-23)24-18-10-15-22(19-24)27(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,10-15,18-19,23H,3,8-9,16-17H2/q+1
InChIKeyKUCZRQGGITYUBX-UHFFFAOYSA-N
XLogP5.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutylsulfonyl-3-fluorobenzene
CID 141111892
2-(3-cyclopentylsulfonylphenyl)ethanol
CID 69436577
(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;4-phenyl-1,4-oxathian-4-ium
CID 161250028
CID 89024956
CID 89024956
(3-fluorocyclohexyl)sulfonylbenzene
CID 66796259
[3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium
CID 158341333
N-cyclohexylsulfamate;triphenylsulfanium
CID 87267054
bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium;tris(4-methylphenyl)sulfanium
CID 159442033
5-cycloheptylsulfonyl-2-fluorobenzoic acid
CID 82928547
2-bromo-5-cyclohexylsulfonylbenzoic acid
CID 43323171
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
4-cycloheptylsulfonylbenzoic acid
CID 82925823

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfonylphenyl)-diphenylsulfanium?
The IUPAC name of (3-cyclohexylsulfonylphenyl)-diphenylsulfanium (CID 155764700) is (3-cyclohexylsulfonylphenyl)-diphenylsulfanium.
What is the SMILES notation for (3-cyclohexylsulfonylphenyl)-diphenylsulfanium?
The canonical SMILES for (3-cyclohexylsulfonylphenyl)-diphenylsulfanium is O=S(=O)(c1cccc([S+](c2ccccc2)c2ccccc2)c1)C1CCCCC1.
What is the InChIKey of (3-cyclohexylsulfonylphenyl)-diphenylsulfanium?
The InChIKey is KUCZRQGGITYUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2S2/c25-28(26,23-16-8-3-9-17-23)24-18-10-15-22(19-24)27(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,10-15,18-19,23H,3,8-9,16-17H2/q+1.
What are the key properties of (3-cyclohexylsulfonylphenyl)-diphenylsulfanium?
(3-cyclohexylsulfonylphenyl)-diphenylsulfanium has a molecular weight of 409.60 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfonylphenyl)-diphenylsulfanium is sourced from PubChem (CID 155764700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).