[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene

C17H18O4S2 — CID 1380165

IUPAC[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C17H18O4S2/c18-22(19,15-9-3-1-4-10-15)17(13-7-8-14-17)23(20,21)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyPILRTAOTWUQARX-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.20
Rot. Bonds4

About [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene

[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene (PubChem CID 1380165) has the molecular formula C17H18O4S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
PubChem CID1380165
Molecular FormulaC17H18O4S2
Molecular Weight350.46 g/mol
Exact Mass350.06
IUPAC Name[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C17H18O4S2/c18-22(19,15-9-3-1-4-10-15)17(13-7-8-14-17)23(20,21)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyPILRTAOTWUQARX-UHFFFAOYSA-N
XLogP3.20
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene?
The IUPAC name of [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene (CID 1380165) is [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene.
What is the SMILES notation for [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene?
The canonical SMILES for [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene is O=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene?
The InChIKey is PILRTAOTWUQARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4S2/c18-22(19,15-9-3-1-4-10-15)17(13-7-8-14-17)23(20,21)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2.
What are the key properties of [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene?
[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene has a molecular weight of 350.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene is sourced from PubChem (CID 1380165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).