4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine

C16H21ClN2O3S — CID 25014974

IUPAC4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
SMILESCN1CCC=C(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1
InChIInChI=1S/C16H21ClN2O3S/c1-18-8-2-3-13(11-18)16-12-19(9-10-22-16)23(20,21)15-6-4-14(17)5-7-15/h3-7,16H,2,8-12H2,1H3
InChIKeyJESYENORHAVITR-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.99
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine

4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine (PubChem CID 25014974) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
PubChem CID25014974
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
SMILESCN1CCC=C(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1
InChIInChI=1S/C16H21ClN2O3S/c1-18-8-2-3-13(11-18)16-12-19(9-10-22-16)23(20,21)15-6-4-14(17)5-7-15/h3-7,16H,2,8-12H2,1H3
InChIKeyJESYENORHAVITR-UHFFFAOYSA-N
XLogP1.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-Dichloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-morpholine
CID 44576433
4-Benzenesulfonyl-2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-morpholine
CID 44576434
1-(4-Chlorophenyl)sulfonyl-3-ethoxypiperidine
CID 42656423
4-[(4-Chlorophenyl)sulfonyl]-2,6-dimethylmorpholine
CID 3944365
3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine
CID 42682766
4-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 45905819
1-(4-Chlorophenyl)sulfonyl-3-propoxypiperidine
CID 46743857
4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-N-methyl-N-prop-2-enylbutan-1-amine
CID 10294448
(2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
CID 70327234
4-(4-Chlorophenyl)sulfonylmorpholine;prop-1-ene
CID 143164640
1-(4-Chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine
CID 174453450
(2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 743473

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine (CID 25014974) is 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine is CN1CCC=C(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The InChIKey is JESYENORHAVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-18-8-2-3-13(11-18)16-12-19(9-10-22-16)23(20,21)15-6-4-14(17)5-7-15/h3-7,16H,2,8-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine has a molecular weight of 356.88 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine is sourced from PubChem (CID 25014974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).