4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide

C16H17ClN4O2S — CID 59177167

IUPAC4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C16H17ClN4O2S/c1-3-21-15(19-14-5-4-10-18-16(14)21)11(2)20-24(22,23)13-8-6-12(17)7-9-13/h4-11,20H,3H2,1-2H3
InChIKeyYXIVCZGIYADXQC-UHFFFAOYSA-N
MW364.86 g/mol
LogP3.14
Rot. Bonds5

About 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 59177167) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID59177167
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C16H17ClN4O2S/c1-3-21-15(19-14-5-4-10-18-16(14)21)11(2)20-24(22,23)13-8-6-12(17)7-9-13/h4-11,20H,3H2,1-2H3
InChIKeyYXIVCZGIYADXQC-UHFFFAOYSA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide (CID 59177167) is 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide is CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YXIVCZGIYADXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-3-21-15(19-14-5-4-10-18-16(14)21)11(2)20-24(22,23)13-8-6-12(17)7-9-13/h4-11,20H,3H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 364.86 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59177167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).