3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide

C23H18Cl2N4O3S — CID 22388026

IUPAC3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)/C=C/c3ccccc3)nc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N4O3S/c1-15-26-20-9-10-21(23(30)28-33(31,32)12-11-16-5-3-2-4-6-16)27-22(20)29(15)14-17-7-8-18(24)13-19(17)25/h2-13H,14H2,1H3,(H,28,30)/b12-11+
InChIKeySMRBISLGXUBVDI-VAWYXSNFSA-N
MW501.40 g/mol
LogP4.83
Rot. Bonds6

About 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide

3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 22388026) has the molecular formula C23H18Cl2N4O3S and a molecular weight of 501.40 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID22388026
Molecular FormulaC23H18Cl2N4O3S
Molecular Weight501.40 g/mol
Exact Mass500.05
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)/C=C/c3ccccc3)nc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N4O3S/c1-15-26-20-9-10-21(23(30)28-33(31,32)12-11-16-5-3-2-4-6-16)27-22(20)29(15)14-17-7-8-18(24)13-19(17)25/h2-13H,14H2,1H3,(H,28,30)/b12-11+
InChIKeySMRBISLGXUBVDI-VAWYXSNFSA-N
XLogP4.83
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide (CID 22388026) is 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide is Cc1nc2ccc(C(=O)NS(=O)(=O)/C=C/c3ccccc3)nc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is SMRBISLGXUBVDI-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3S/c1-15-26-20-9-10-21(23(30)28-33(31,32)12-11-16-5-3-2-4-6-16)27-22(20)29(15)14-17-7-8-18(24)13-19(17)25/h2-13H,14H2,1H3,(H,28,30)/b12-11+.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 501.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 22388026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).