[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

C16H13ClN4O5S — CID 7653227

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H13ClN4O5S/c17-16-12(5-3-7-19-16)21-14(22)10-26-15(23)9-20-27(24,25)13-6-2-1-4-11(13)8-18/h1-7,20H,9-10H2,(H,21,22)
InChIKeyOCORWINMCYJENU-UHFFFAOYSA-N
MW408.82 g/mol
LogP1.07
Rot. Bonds7

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (PubChem CID 7653227) has the molecular formula C16H13ClN4O5S and a molecular weight of 408.82 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
PubChem CID7653227
Molecular FormulaC16H13ClN4O5S
Molecular Weight408.82 g/mol
Exact Mass408.03
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H13ClN4O5S/c17-16-12(5-3-7-19-16)21-14(22)10-26-15(23)9-20-27(24,25)13-6-2-1-4-11(13)8-18/h1-7,20H,9-10H2,(H,21,22)
InChIKeyOCORWINMCYJENU-UHFFFAOYSA-N
XLogP1.07
TPSA138.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 2394798
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596101
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653278
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 2571060
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 26918184
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8856113
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653231
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854407
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881074
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653370
N-(3-chloro-2-fluorophenyl)-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9146475

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (CID 7653227) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The InChIKey is OCORWINMCYJENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O5S/c17-16-12(5-3-7-19-16)21-14(22)10-26-15(23)9-20-27(24,25)13-6-2-1-4-11(13)8-18/h1-7,20H,9-10H2,(H,21,22).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate has a molecular weight of 408.82 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7653227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).