2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene

C14H19ClO2S — CID 174372786

IUPAC2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene
SMILESCCC1CCCC1c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H19ClO2S/c1-3-10-5-4-6-12(10)11-7-8-14(13(15)9-11)18(2,16)17/h7-10,12H,3-6H2,1-2H3
InChIKeyOTTXLBYKCWVNMQ-UHFFFAOYSA-N
MW286.82 g/mol
LogP4.04
Rot. Bonds3

About 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene

2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene (PubChem CID 174372786) has the molecular formula C14H19ClO2S and a molecular weight of 286.82 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene.

Molecular Properties

Compound Name2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene
PubChem CID174372786
Molecular FormulaC14H19ClO2S
Molecular Weight286.82 g/mol
Exact Mass286.08
IUPAC Name2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene
SMILESCCC1CCCC1c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H19ClO2S/c1-3-10-5-4-6-12(10)11-7-8-14(13(15)9-11)18(2,16)17/h7-10,12H,3-6H2,1-2H3
InChIKeyOTTXLBYKCWVNMQ-UHFFFAOYSA-N
XLogP4.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene?
The IUPAC name of 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene (CID 174372786) is 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene.
What is the SMILES notation for 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene?
The canonical SMILES for 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene is CCC1CCCC1c1ccc(S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene?
The InChIKey is OTTXLBYKCWVNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2S/c1-3-10-5-4-6-12(10)11-7-8-14(13(15)9-11)18(2,16)17/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene?
2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene has a molecular weight of 286.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene is sourced from PubChem (CID 174372786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).