4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine

C16H23ClN2O3S — CID 23723341

IUPAC4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCCC(N3CCOCC3)C2)cc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-13-4-5-15(11-16(13)17)23(20,21)19-6-2-3-14(12-19)18-7-9-22-10-8-18/h4-5,11,14H,2-3,6-10,12H2,1H3
InChIKeyYVXINWFTRDGUFJ-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.13
Rot. Bonds3

About 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine

4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine (PubChem CID 23723341) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine
PubChem CID23723341
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCCC(N3CCOCC3)C2)cc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-13-4-5-15(11-16(13)17)23(20,21)19-6-2-3-14(12-19)18-7-9-22-10-8-18/h4-5,11,14H,2-3,6-10,12H2,1H3
InChIKeyYVXINWFTRDGUFJ-UHFFFAOYSA-N
XLogP2.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{1-[(4-Chloro-2,5-dimethylphenyl)sulfonyl]-3-piperidinyl}morpholine
CID 23724042
4-[1-(3-Chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]morpholine
CID 126460869
4-[1-(4-Methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 949593
1-(3-Chloro-2-methylbenzenesulfonyl)-4-[(3-methylpiperidin-1-YL)methyl]piperidine
CID 46287420
1-(3-Chloro-4-methylbenzenesulfonyl)-4-[(3-methylpiperidin-1-YL)methyl]piperidine
CID 50848264
1-[1-(3-Chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
CID 1433360
3-chloro-4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 8351253
N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42696156
3-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzenesulfonamide
CID 45563693
4-[[1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine
CID 55735165
4-[2-[1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]ethyl]morpholine
CID 56221093
4-[[1-(3-Chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
The IUPAC name of 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine (CID 23723341) is 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine is Cc1ccc(S(=O)(=O)N2CCCC(N3CCOCC3)C2)cc1Cl.
What is the InChIKey of 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
The InChIKey is YVXINWFTRDGUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-13-4-5-15(11-16(13)17)23(20,21)19-6-2-3-14(12-19)18-7-9-22-10-8-18/h4-5,11,14H,2-3,6-10,12H2,1H3.
What are the key properties of 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine has a molecular weight of 358.89 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]morpholine is sourced from PubChem (CID 23723341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).