4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine

C17H25ClN2O3S — CID 23724042

IUPAC4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine
SMILESCc1cc(S(=O)(=O)N2CCCC(N3CCOCC3)C2)c(C)cc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-13-11-17(14(2)10-16(13)18)24(21,22)20-5-3-4-15(12-20)19-6-8-23-9-7-19/h10-11,15H,3-9,12H2,1-2H3
InChIKeyYYWJZICIONOXNA-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.44
Rot. Bonds3

About 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine

4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine (PubChem CID 23724042) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine
PubChem CID23724042
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine
SMILESCc1cc(S(=O)(=O)N2CCCC(N3CCOCC3)C2)c(C)cc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-13-11-17(14(2)10-16(13)18)24(21,22)20-5-3-4-15(12-20)19-6-8-23-9-7-19/h10-11,15H,3-9,12H2,1-2H3
InChIKeyYYWJZICIONOXNA-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine?
The IUPAC name of 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine (CID 23724042) is 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine is Cc1cc(S(=O)(=O)N2CCCC(N3CCOCC3)C2)c(C)cc1Cl.
What is the InChIKey of 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine?
The InChIKey is YYWJZICIONOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-13-11-17(14(2)10-16(13)18)24(21,22)20-5-3-4-15(12-20)19-6-8-23-9-7-19/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine?
4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine has a molecular weight of 372.92 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]morpholine is sourced from PubChem (CID 23724042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).