[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate

C17H15Cl3N2O5S — CID 2420674

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate
SMILESCc1nc(NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O5S/c1-10-12(19)8-13(20)17(21-10)22-15(23)9-27-16(24)6-7-28(25,26)14-5-3-2-4-11(14)18/h2-5,8H,6-7,9H2,1H3,(H,21,22,23)
InChIKeyIBLMEHPVYDRQPE-UHFFFAOYSA-N
MW465.74 g/mol
LogP3.70
Rot. Bonds7

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate (PubChem CID 2420674) has the molecular formula C17H15Cl3N2O5S and a molecular weight of 465.74 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate
PubChem CID2420674
Molecular FormulaC17H15Cl3N2O5S
Molecular Weight465.74 g/mol
Exact Mass463.98
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate
SMILESCc1nc(NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O5S/c1-10-12(19)8-13(20)17(21-10)22-15(23)9-27-16(24)6-7-28(25,26)14-5-3-2-4-11(14)18/h2-5,8H,6-7,9H2,1H3,(H,21,22,23)
InChIKeyIBLMEHPVYDRQPE-UHFFFAOYSA-N
XLogP3.70
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate (CID 2420674) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate is Cc1nc(NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
The InChIKey is IBLMEHPVYDRQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O5S/c1-10-12(19)8-13(20)17(21-10)22-15(23)9-27-16(24)6-7-28(25,26)14-5-3-2-4-11(14)18/h2-5,8H,6-7,9H2,1H3,(H,21,22,23).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate has a molecular weight of 465.74 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 2420674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).