[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

C18H18ClN3O6S — CID 4853275

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18ClN3O6S/c19-14-4-5-16(20-11-14)21-17(23)12-28-18(24)13-2-1-3-15(10-13)29(25,26)22-6-8-27-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21,23)
InChIKeyKCHUPURDPRDWRL-UHFFFAOYSA-N
MW439.88 g/mol
LogP1.55
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 4853275) has the molecular formula C18H18ClN3O6S and a molecular weight of 439.88 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID4853275
Molecular FormulaC18H18ClN3O6S
Molecular Weight439.88 g/mol
Exact Mass439.06
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18ClN3O6S/c19-14-4-5-16(20-11-14)21-17(23)12-28-18(24)13-2-1-3-15(10-13)29(25,26)22-6-8-27-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21,23)
InChIKeyKCHUPURDPRDWRL-UHFFFAOYSA-N
XLogP1.55
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2544883
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 2636191
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 4785222
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095
2-(Pyridine-4-carbonylamino)ethyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 2093658
3-[4-(4-Morpholinylsulfonyl)phenyl]propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
CID 2096878
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2360242
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2389690
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2488237
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate
CID 2493718

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 4853275) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is KCHUPURDPRDWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O6S/c19-14-4-5-16(20-11-14)21-17(23)12-28-18(24)13-2-1-3-15(10-13)29(25,26)22-6-8-27-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21,23).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 439.88 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 4853275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).