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

C16H17ClN4O3S — CID 53022471

IUPAC5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCCn1c(CNS(=O)(=O)c2cc(Cl)ccc2OC)nc2cccnc21
InChIInChI=1S/C16H17ClN4O3S/c1-3-21-15(20-12-5-4-8-18-16(12)21)10-19-25(22,23)14-9-11(17)6-7-13(14)24-2/h4-9,19H,3,10H2,1-2H3
InChIKeyPPZAHJVFIITJJT-UHFFFAOYSA-N
MW380.86 g/mol
LogP2.59
Rot. Bonds6

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

5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 53022471) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID53022471
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC Name5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCCn1c(CNS(=O)(=O)c2cc(Cl)ccc2OC)nc2cccnc21
InChIInChI=1S/C16H17ClN4O3S/c1-3-21-15(20-12-5-4-8-18-16(12)21)10-19-25(22,23)14-9-11(17)6-7-13(14)24-2/h4-9,19H,3,10H2,1-2H3
InChIKeyPPZAHJVFIITJJT-UHFFFAOYSA-N
XLogP2.59
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036
5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide
CID 20955994
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466
3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021058
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
4-methoxy-N-[[3-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53020721
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144771
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 156599916

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide (CID 53022471) is 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide is CCn1c(CNS(=O)(=O)c2cc(Cl)ccc2OC)nc2cccnc21.
What is the InChIKey of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is PPZAHJVFIITJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c1-3-21-15(20-12-5-4-8-18-16(12)21)10-19-25(22,23)14-9-11(17)6-7-13(14)24-2/h4-9,19H,3,10H2,1-2H3.
What are the key properties of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 380.86 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53022471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).