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

C21H19ClN4O3S — CID 46286470

IUPAC5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1c(-c2ccccc2)nc2cccnc21
InChIInChI=1S/C21H19ClN4O3S/c1-29-18-10-9-16(22)14-19(18)30(27,28)24-12-13-26-20(15-6-3-2-4-7-15)25-17-8-5-11-23-21(17)26/h2-11,14,24H,12-13H2,1H3
InChIKeyNDKXHCWXIXOBSS-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.74
Rot. Bonds7

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

5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 46286470) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID46286470
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1c(-c2ccccc2)nc2cccnc21
InChIInChI=1S/C21H19ClN4O3S/c1-29-18-10-9-16(22)14-19(18)30(27,28)24-12-13-26-20(15-6-3-2-4-7-15)25-17-8-5-11-23-21(17)26/h2-11,14,24H,12-13H2,1H3
InChIKeyNDKXHCWXIXOBSS-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 46286470) is 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCn1c(-c2ccccc2)nc2cccnc21.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is NDKXHCWXIXOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-29-18-10-9-16(22)14-19(18)30(27,28)24-12-13-26-20(15-6-3-2-4-7-15)25-17-8-5-11-23-21(17)26/h2-11,14,24H,12-13H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
5-chloro-2-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 5-chloro-2-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46286470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).