N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide

C16H18N4O3S — CID 53021036

IUPACN-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCn1c(CNS(=O)(=O)c2ccc(OC)cc2)nc2cccnc21
InChIInChI=1S/C16H18N4O3S/c1-3-20-15(19-14-5-4-10-17-16(14)20)11-18-24(21,22)13-8-6-12(23-2)7-9-13/h4-10,18H,3,11H2,1-2H3
InChIKeyRQJSZHNLTMCAAH-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.94
Rot. Bonds6

About N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide

N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 53021036) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID53021036
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCn1c(CNS(=O)(=O)c2ccc(OC)cc2)nc2cccnc21
InChIInChI=1S/C16H18N4O3S/c1-3-20-15(19-14-5-4-10-17-16(14)20)11-18-24(21,22)13-8-6-12(23-2)7-9-13/h4-10,18H,3,11H2,1-2H3
InChIKeyRQJSZHNLTMCAAH-UHFFFAOYSA-N
XLogP1.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
4-methoxy-N-[[3-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53020721
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 53022613
3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021058
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466
N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
CID 53021032
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide (CID 53021036) is N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide is CCn1c(CNS(=O)(=O)c2ccc(OC)cc2)nc2cccnc21.
What is the InChIKey of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is RQJSZHNLTMCAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-3-20-15(19-14-5-4-10-17-16(14)20)11-18-24(21,22)13-8-6-12(23-2)7-9-13/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 53021036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).