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

C16H17ClN4O2S — CID 59177064

IUPAC4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ncccc21
InChIInChI=1S/C16H17ClN4O2S/c1-3-21-14-5-4-10-18-15(14)19-16(21)11(2)20-24(22,23)13-8-6-12(17)7-9-13/h4-11,20H,3H2,1-2H3
InChIKeyAGTWTNALRMIKJL-UHFFFAOYSA-N
MW364.86 g/mol
LogP3.14
Rot. Bonds5

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

4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 59177064) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID59177064
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ncccc21
InChIInChI=1S/C16H17ClN4O2S/c1-3-21-14-5-4-10-18-15(14)19-16(21)11(2)20-24(22,23)13-8-6-12(17)7-9-13/h4-11,20H,3H2,1-2H3
InChIKeyAGTWTNALRMIKJL-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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Related Compounds

DB-02197
CID 5288527
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177011
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzenesulfonamide
CID 71460978
2-Ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720397
N-[1-[8-(2-chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156454
1-(4-Chloro-benzenesulfonyl)-1H-benzoimidazole
CID 746713
Sulfonamide deriv. 3f
CID 6539029
Imidazo[1,2-a]pyridine deriv. 4a
CID 6539030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide (CID 59177064) is 4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide is CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ncccc21.
What is the InChIKey of 4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is AGTWTNALRMIKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-3-21-14-5-4-10-18-15(14)19-16(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-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(1-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-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59177064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).