methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate

C19H22ClN3O5S — CID 55832622

IUPACmethyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NCCc2cccc(Cl)c2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22ClN3O5S/c1-27-19(24)15-12-17(29(25,26)23-7-9-28-10-8-23)18(22-13-15)21-6-5-14-3-2-4-16(20)11-14/h2-4,11-13H,5-10H2,1H3,(H,21,22)
InChIKeyLSNUFMIAPQXNOX-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.20
Rot. Bonds7

About methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate

methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate (PubChem CID 55832622) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
PubChem CID55832622
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Namemethyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NCCc2cccc(Cl)c2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22ClN3O5S/c1-27-19(24)15-12-17(29(25,26)23-7-9-28-10-8-23)18(22-13-15)21-6-5-14-3-2-4-16(20)11-14/h2-4,11-13H,5-10H2,1H3,(H,21,22)
InChIKeyLSNUFMIAPQXNOX-UHFFFAOYSA-N
XLogP2.20
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 55827594
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 51116284
1-[2-(3-chlorophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271580
[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184630
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30146034
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
N-[2-(3-chlorophenoxy)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55724631
methyl 6-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 55829991
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
[2-(benzylamino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 55313206

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate (CID 55832622) is methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate is COC(=O)c1cnc(NCCc2cccc(Cl)c2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
The InChIKey is LSNUFMIAPQXNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-27-19(24)15-12-17(29(25,26)23-7-9-28-10-8-23)18(22-13-15)21-6-5-14-3-2-4-16(20)11-14/h2-4,11-13H,5-10H2,1H3,(H,21,22).
What are the key properties of methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate has a molecular weight of 439.92 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate is sourced from PubChem (CID 55832622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).