[1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene

C18H20O4S2 — CID 1210996

IUPAC[1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C18H20O4S2/c19-23(20,16-10-4-1-5-11-16)18(14-8-3-9-15-18)24(21,22)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyMFHRIYCSTNYZKY-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.59
Rot. Bonds4

About [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene

[1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene (PubChem CID 1210996) has the molecular formula C18H20O4S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene
PubChem CID1210996
Molecular FormulaC18H20O4S2
Molecular Weight364.49 g/mol
Exact Mass364.08
IUPAC Name[1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C18H20O4S2/c19-23(20,16-10-4-1-5-11-16)18(14-8-3-9-15-18)24(21,22)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyMFHRIYCSTNYZKY-UHFFFAOYSA-N
XLogP3.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene?
The IUPAC name of [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene (CID 1210996) is [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene.
What is the SMILES notation for [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene?
The canonical SMILES for [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene is O=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCCC1.
What is the InChIKey of [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene?
The InChIKey is MFHRIYCSTNYZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4S2/c19-23(20,16-10-4-1-5-11-16)18(14-8-3-9-15-18)24(21,22)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene?
[1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene has a molecular weight of 364.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)cyclohexyl]sulfonylbenzene is sourced from PubChem (CID 1210996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).