[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate

C15H12BrCl2N3O5S — CID 4832093

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12BrCl2N3O5S/c16-9-1-3-12(11(18)5-9)27(24,25)20-7-15(23)26-8-14(22)21-13-4-2-10(17)6-19-13/h1-6,20H,7-8H2,(H,19,21,22)
InChIKeyKQHVVPYDXVZZDU-UHFFFAOYSA-N
MW497.15 g/mol
LogP2.61
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate (PubChem CID 4832093) has the molecular formula C15H12BrCl2N3O5S and a molecular weight of 497.15 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
PubChem CID4832093
Molecular FormulaC15H12BrCl2N3O5S
Molecular Weight497.15 g/mol
Exact Mass494.91
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12BrCl2N3O5S/c16-9-1-3-12(11(18)5-9)27(24,25)20-7-15(23)26-8-14(22)21-13-4-2-10(17)6-19-13/h1-6,20H,7-8H2,(H,19,21,22)
InChIKeyKQHVVPYDXVZZDU-UHFFFAOYSA-N
XLogP2.61
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.15
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 3532838
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596098
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate
CID 25044833
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309468
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2377984
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648905

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate (CID 4832093) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
The InChIKey is KQHVVPYDXVZZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2N3O5S/c16-9-1-3-12(11(18)5-9)27(24,25)20-7-15(23)26-8-14(22)21-13-4-2-10(17)6-19-13/h1-6,20H,7-8H2,(H,19,21,22).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate has a molecular weight of 497.15 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 4832093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).