2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide

C22H22N4O4S — CID 46286463

IUPAC2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c1
InChIInChI=1S/C22H22N4O4S/c1-29-17-10-11-19(30-2)20(15-17)31(27,28)24-13-14-26-21(16-7-4-3-5-8-16)25-18-9-6-12-23-22(18)26/h3-12,15,24H,13-14H2,1-2H3
InChIKeySJICQABAPWNRAQ-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.09
Rot. Bonds8

About 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 46286463) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID46286463
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c1
InChIInChI=1S/C22H22N4O4S/c1-29-17-10-11-19(30-2)20(15-17)31(27,28)24-13-14-26-21(16-7-4-3-5-8-16)25-18-9-6-12-23-22(18)26/h3-12,15,24H,13-14H2,1-2H3
InChIKeySJICQABAPWNRAQ-UHFFFAOYSA-N
XLogP3.09
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286471
2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 50762350
5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide
CID 20955994
3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762247
3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004110
2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide
CID 110292045
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
CID 46286860
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 46286416

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 46286463) is 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is SJICQABAPWNRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-29-17-10-11-19(30-2)20(15-17)31(27,28)24-13-14-26-21(16-7-4-3-5-8-16)25-18-9-6-12-23-22(18)26/h3-12,15,24H,13-14H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 438.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46286463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).