4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide

C21H19ClN4O2S — CID 46286416

IUPAC4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3cccnc3n2CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN4O2S/c1-15-4-6-16(7-5-15)20-25-19-3-2-12-23-21(19)26(20)14-13-24-29(27,28)18-10-8-17(22)9-11-18/h2-12,24H,13-14H2,1H3
InChIKeyAQXKKUNBFYFADG-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.04
Rot. Bonds6

About 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide

4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (PubChem CID 46286416) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
PubChem CID46286416
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3cccnc3n2CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN4O2S/c1-15-4-6-16(7-5-15)20-25-19-3-2-12-23-21(19)26(20)14-13-24-29(27,28)18-10-8-17(22)9-11-18/h2-12,24H,13-14H2,1H3
InChIKeyAQXKKUNBFYFADG-UHFFFAOYSA-N
XLogP4.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (CID 46286416) is 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is Cc1ccc(-c2nc3cccnc3n2CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is AQXKKUNBFYFADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-15-4-6-16(7-5-15)20-25-19-3-2-12-23-21(19)26(20)14-13-24-29(27,28)18-10-8-17(22)9-11-18/h2-12,24H,13-14H2,1H3.
What are the key properties of 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 426.93 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 46286416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).