3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine

C13H20ClN3O3S — CID 64601076

IUPAC3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCOCC2CC)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-3-10-9-20-6-5-17(10)21(18,19)11-7-12(14)13(15-4-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVGHMSEAGZNZELC-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.97
Rot. Bonds5

About 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine

3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine (PubChem CID 64601076) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
PubChem CID64601076
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCOCC2CC)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-3-10-9-20-6-5-17(10)21(18,19)11-7-12(14)13(15-4-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVGHMSEAGZNZELC-UHFFFAOYSA-N
XLogP1.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine 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 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine (CID 64601076) is 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine is CCNc1ncc(S(=O)(=O)N2CCOCC2CC)cc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The InChIKey is VGHMSEAGZNZELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-3-10-9-20-6-5-17(10)21(18,19)11-7-12(14)13(15-4-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine has a molecular weight of 333.84 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64601076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).