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

C21H19ClN4O3S — CID 46286471

IUPAC3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1Cl
InChIInChI=1S/C21H19ClN4O3S/c1-29-19-10-9-16(14-17(19)22)30(27,28)24-12-13-26-20(15-6-3-2-4-7-15)25-18-8-5-11-23-21(18)26/h2-11,14,24H,12-13H2,1H3
InChIKeyKFUCTOGFZCXTTH-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.74
Rot. Bonds7

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

3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 46286471) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID46286471
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1Cl
InChIInChI=1S/C21H19ClN4O3S/c1-29-19-10-9-16(14-17(19)22)30(27,28)24-12-13-26-20(15-6-3-2-4-7-15)25-18-8-5-11-23-21(18)26/h2-11,14,24H,12-13H2,1H3
InChIKeyKFUCTOGFZCXTTH-UHFFFAOYSA-N
XLogP3.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762247
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463
4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 46286416
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
3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004110
3-methyl-2-oxo-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]-1,3-benzoxazole-6-sulfonamide
CID 50762293
N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 46286493
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20955990
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 46286471) is 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KFUCTOGFZCXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-29-19-10-9-16(14-17(19)22)30(27,28)24-12-13-26-20(15-6-3-2-4-7-15)25-18-8-5-11-23-21(18)26/h2-11,14,24H,12-13H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 442.93 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46286471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).