4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

C16H17ClN4O2S — CID 53021046

IUPAC4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCCCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C16H17ClN4O2S/c1-2-10-21-15(20-14-4-3-9-18-16(14)21)11-19-24(22,23)13-7-5-12(17)6-8-13/h3-9,19H,2,10-11H2,1H3
InChIKeyOXHLGGLHYZYKPM-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.97
Rot. Bonds6

About 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 53021046) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID53021046
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCCCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C16H17ClN4O2S/c1-2-10-21-15(20-14-4-3-9-18-16(14)21)11-19-24(22,23)13-7-5-12(17)6-8-13/h3-9,19H,2,10-11H2,1H3
InChIKeyOXHLGGLHYZYKPM-UHFFFAOYSA-N
XLogP2.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
CID 156599914
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
CID 53021032
4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 46286416
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 156599916
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (CID 53021046) is 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is CCCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is OXHLGGLHYZYKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-2-10-21-15(20-14-4-3-9-18-16(14)21)11-19-24(22,23)13-7-5-12(17)6-8-13/h3-9,19H,2,10-11H2,1H3.
What are the key properties of 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 364.86 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53021046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).