cyclohexylsulfonylmethylsulfonylbenzene

C13H18O4S2 — CID 141082573

IUPACcyclohexylsulfonylmethylsulfonylbenzene
SMILESO=S(=O)(CS(=O)(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyRDWNOIHFVCAKRB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.17
Rot. Bonds4

About cyclohexylsulfonylmethylsulfonylbenzene

cyclohexylsulfonylmethylsulfonylbenzene (PubChem CID 141082573) has the molecular formula C13H18O4S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclohexylsulfonylmethylsulfonylbenzene.

Molecular Properties

Compound Namecyclohexylsulfonylmethylsulfonylbenzene
PubChem CID141082573
Molecular FormulaC13H18O4S2
Molecular Weight302.42 g/mol
Exact Mass302.06
IUPAC Namecyclohexylsulfonylmethylsulfonylbenzene
SMILESO=S(=O)(CS(=O)(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyRDWNOIHFVCAKRB-UHFFFAOYSA-N
XLogP2.17
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane
CID 25037615
3-cyclohexylsulfonyl-1-phenylpropan-1-one
CID 116694882
cyclooctyl benzenesulfonate
CID 89439910
2-[2-(cyclopentylsulfonylmethyl)phenyl]acetic acid
CID 113314460
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
(2S)-2-benzyl-3-cyclohexylsulfonylpropanoic acid
CID 67853712
(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
CID 155764700
(3-fluorocyclohexyl)sulfonylbenzene
CID 66796259
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
2,2-bis(benzenesulfonyl)ethylcyclooctane
CID 132937122
1-(benzenesulfonylmethyl)bicyclo[4.1.0]heptane
CID 102030045

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfonylmethylsulfonylbenzene?
The IUPAC name of cyclohexylsulfonylmethylsulfonylbenzene (CID 141082573) is cyclohexylsulfonylmethylsulfonylbenzene.
What is the SMILES notation for cyclohexylsulfonylmethylsulfonylbenzene?
The canonical SMILES for cyclohexylsulfonylmethylsulfonylbenzene is O=S(=O)(CS(=O)(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexylsulfonylmethylsulfonylbenzene?
The InChIKey is RDWNOIHFVCAKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of cyclohexylsulfonylmethylsulfonylbenzene?
cyclohexylsulfonylmethylsulfonylbenzene has a molecular weight of 302.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfonylmethylsulfonylbenzene is sourced from PubChem (CID 141082573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).