2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide

C20H15ClN4O3S — CID 11697584

IUPAC2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2nc3ncc(NC(=O)c4ccccc4Cl)cc3[nH]2)cc1
InChIInChI=1S/C20H15ClN4O3S/c1-29(27,28)14-8-6-12(7-9-14)18-24-17-10-13(11-22-19(17)25-18)23-20(26)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,23,26)(H,22,24,25)
InChIKeyYPWOMZWDYGWXRE-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.93
Rot. Bonds4

About 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide

2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide (PubChem CID 11697584) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
PubChem CID11697584
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC Name2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2nc3ncc(NC(=O)c4ccccc4Cl)cc3[nH]2)cc1
InChIInChI=1S/C20H15ClN4O3S/c1-29(27,28)14-8-6-12(7-9-14)18-24-17-10-13(11-22-19(17)25-18)23-20(26)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,23,26)(H,22,24,25)
InChIKeyYPWOMZWDYGWXRE-UHFFFAOYSA-N
XLogP3.93
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide (CID 11697584) is 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide is CS(=O)(=O)c1ccc(-c2nc3ncc(NC(=O)c4ccccc4Cl)cc3[nH]2)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide?
The InChIKey is YPWOMZWDYGWXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c1-29(27,28)14-8-6-12(7-9-14)18-24-17-10-13(11-22-19(17)25-18)23-20(26)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide?
2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide has a molecular weight of 426.89 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]benzamide is sourced from PubChem (CID 11697584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).