4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine

C11H14Cl2N2O3S — CID 64623353

IUPAC4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C11H14Cl2N2O3S/c1-2-8-7-15(3-4-18-8)19(16,17)9-5-10(12)11(13)14-6-9/h5-6,8H,2-4,7H2,1H3
InChIKeyZHYBKPWCYIWJPV-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.19
Rot. Bonds3

About 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine

4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine (PubChem CID 64623353) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
PubChem CID64623353
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C11H14Cl2N2O3S/c1-2-8-7-15(3-4-18-8)19(16,17)9-5-10(12)11(13)14-6-9/h5-6,8H,2-4,7H2,1H3
InChIKeyZHYBKPWCYIWJPV-UHFFFAOYSA-N
XLogP2.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
CID 43562747
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516
5-(2-ethylmorpholin-4-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62146813
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-1,4-oxazepane
CID 64608037
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562749
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
5-(2-ethylmorpholin-4-yl)sulfonylpyridine-2-carbothioamide
CID 114614163
5-(2-ethylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62146457
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
CID 64607202

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine?
The IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine (CID 64623353) is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine?
The canonical SMILES for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine is CCC1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine?
The InChIKey is ZHYBKPWCYIWJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-2-8-7-15(3-4-18-8)19(16,17)9-5-10(12)11(13)14-6-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine?
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine has a molecular weight of 325.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine is sourced from PubChem (CID 64623353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).