3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one

C14H12Cl2N4O3S — CID 11153412

IUPAC3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one
SMILESNCCn1c(=O)n(S(=O)(=O)c2cccc(Cl)c2Cl)c2cccnc21
InChIInChI=1S/C14H12Cl2N4O3S/c15-9-3-1-5-11(12(9)16)24(22,23)20-10-4-2-7-18-13(10)19(8-6-17)14(20)21/h1-5,7H,6,8,17H2
InChIKeyMIIUVONVFJXXNM-UHFFFAOYSA-N
MW387.25 g/mol
LogP1.70
Rot. Bonds4

About 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one

3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one (PubChem CID 11153412) has the molecular formula C14H12Cl2N4O3S and a molecular weight of 387.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one
PubChem CID11153412
Molecular FormulaC14H12Cl2N4O3S
Molecular Weight387.25 g/mol
Exact Mass386.00
IUPAC Name3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one
SMILESNCCn1c(=O)n(S(=O)(=O)c2cccc(Cl)c2Cl)c2cccnc21
InChIInChI=1S/C14H12Cl2N4O3S/c15-9-3-1-5-11(12(9)16)24(22,23)20-10-4-2-7-18-13(10)19(8-6-17)14(20)21/h1-5,7H,6,8,17H2
InChIKeyMIIUVONVFJXXNM-UHFFFAOYSA-N
XLogP1.70
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one (CID 11153412) is 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one is NCCn1c(=O)n(S(=O)(=O)c2cccc(Cl)c2Cl)c2cccnc21.
What is the InChIKey of 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one?
The InChIKey is MIIUVONVFJXXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O3S/c15-9-3-1-5-11(12(9)16)24(22,23)20-10-4-2-7-18-13(10)19(8-6-17)14(20)21/h1-5,7H,6,8,17H2.
What are the key properties of 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one?
3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one has a molecular weight of 387.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 11153412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).