1-cyclopentylsulfonyl-2,3,4-triethylbenzene

C17H26O2S — CID 150568568

IUPAC1-cyclopentylsulfonyl-2,3,4-triethylbenzene
SMILESCCc1ccc(S(=O)(=O)C2CCCC2)c(CC)c1CC
InChIInChI=1S/C17H26O2S/c1-4-13-11-12-17(16(6-3)15(13)5-2)20(18,19)14-9-7-8-10-14/h11-12,14H,4-10H2,1-3H3
InChIKeyILIRXCNSGQGAKN-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.09
Rot. Bonds5

About 1-cyclopentylsulfonyl-2,3,4-triethylbenzene

1-cyclopentylsulfonyl-2,3,4-triethylbenzene (PubChem CID 150568568) has the molecular formula C17H26O2S and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-2,3,4-triethylbenzene.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-2,3,4-triethylbenzene
PubChem CID150568568
Molecular FormulaC17H26O2S
Molecular Weight294.46 g/mol
Exact Mass294.17
IUPAC Name1-cyclopentylsulfonyl-2,3,4-triethylbenzene
SMILESCCc1ccc(S(=O)(=O)C2CCCC2)c(CC)c1CC
InChIInChI=1S/C17H26O2S/c1-4-13-11-12-17(16(6-3)15(13)5-2)20(18,19)14-9-7-8-10-14/h11-12,14H,4-10H2,1-3H3
InChIKeyILIRXCNSGQGAKN-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-2,3,4-triethylbenzene?
The IUPAC name of 1-cyclopentylsulfonyl-2,3,4-triethylbenzene (CID 150568568) is 1-cyclopentylsulfonyl-2,3,4-triethylbenzene.
What is the SMILES notation for 1-cyclopentylsulfonyl-2,3,4-triethylbenzene?
The canonical SMILES for 1-cyclopentylsulfonyl-2,3,4-triethylbenzene is CCc1ccc(S(=O)(=O)C2CCCC2)c(CC)c1CC.
What is the InChIKey of 1-cyclopentylsulfonyl-2,3,4-triethylbenzene?
The InChIKey is ILIRXCNSGQGAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2S/c1-4-13-11-12-17(16(6-3)15(13)5-2)20(18,19)14-9-7-8-10-14/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentylsulfonyl-2,3,4-triethylbenzene?
1-cyclopentylsulfonyl-2,3,4-triethylbenzene has a molecular weight of 294.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-2,3,4-triethylbenzene is sourced from PubChem (CID 150568568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).