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

C16H20Cl2N2O3S — CID 44576433

IUPAC4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
SMILESCN1CCC=C(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)C1
InChIInChI=1S/C16H20Cl2N2O3S/c1-19-6-2-3-12(10-19)15-11-20(7-8-23-15)24(21,22)16-9-13(17)4-5-14(16)18/h3-5,9,15H,2,6-8,10-11H2,1H3
InChIKeyBWQTYVMVAMFHSY-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.64
Rot. Bonds3

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

4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine (PubChem CID 44576433) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
PubChem CID44576433
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC Name4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
SMILESCN1CCC=C(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)C1
InChIInChI=1S/C16H20Cl2N2O3S/c1-19-6-2-3-12(10-19)15-11-20(7-8-23-15)24(21,22)16-9-13(17)4-5-14(16)18/h3-5,9,15H,2,6-8,10-11H2,1H3
InChIKeyBWQTYVMVAMFHSY-UHFFFAOYSA-N
XLogP2.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine (CID 44576433) is 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine is CN1CCC=C(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)C1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The InChIKey is BWQTYVMVAMFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3S/c1-19-6-2-3-12(10-19)15-11-20(7-8-23-15)24(21,22)16-9-13(17)4-5-14(16)18/h3-5,9,15H,2,6-8,10-11H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine has a molecular weight of 391.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfonyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine is sourced from PubChem (CID 44576433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).