[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone

C18H24ClNO4S — CID 51277317

IUPAC[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC(C)O1
InChIInChI=1S/C18H24ClNO4S/c1-13-11-20(12-14(2)24-13)17(21)18(9-3-4-10-18)25(22,23)16-7-5-15(19)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyDLSUEDZFSNEPOG-UHFFFAOYSA-N
MW385.91 g/mol
LogP3.06
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 51277317) has the molecular formula C18H24ClNO4S and a molecular weight of 385.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID51277317
Molecular FormulaC18H24ClNO4S
Molecular Weight385.91 g/mol
Exact Mass385.11
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC(C)O1
InChIInChI=1S/C18H24ClNO4S/c1-13-11-20(12-14(2)24-13)17(21)18(9-3-4-10-18)25(22,23)16-7-5-15(19)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyDLSUEDZFSNEPOG-UHFFFAOYSA-N
XLogP3.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 51277317) is [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC(C)O1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is DLSUEDZFSNEPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4S/c1-13-11-20(12-14(2)24-13)17(21)18(9-3-4-10-18)25(22,23)16-7-5-15(19)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 385.91 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 51277317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).