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

C13H13ClN4O2S2 — CID 53022466

IUPAC5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1c(CNS(=O)(=O)c2ccc(Cl)s2)nc2cccnc21
InChIInChI=1S/C13H13ClN4O2S2/c1-2-18-11(17-9-4-3-7-15-13(9)18)8-16-22(19,20)12-6-5-10(14)21-12/h3-7,16H,2,8H2,1H3
InChIKeyUVBWKCMVDHKOIZ-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.64
Rot. Bonds5

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

5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 53022466) has the molecular formula C13H13ClN4O2S2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID53022466
Molecular FormulaC13H13ClN4O2S2
Molecular Weight356.86 g/mol
Exact Mass356.02
IUPAC Name5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1c(CNS(=O)(=O)c2ccc(Cl)s2)nc2cccnc21
InChIInChI=1S/C13H13ClN4O2S2/c1-2-18-11(17-9-4-3-7-15-13(9)18)8-16-22(19,20)12-6-5-10(14)21-12/h3-7,16H,2,8H2,1H3
InChIKeyUVBWKCMVDHKOIZ-UHFFFAOYSA-N
XLogP2.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.64
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-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
CID 46286443
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
CID 156599914
3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53022572
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide
CID 53022404
2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53020666
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine
CID 117165849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide (CID 53022466) is 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide is CCn1c(CNS(=O)(=O)c2ccc(Cl)s2)nc2cccnc21.
What is the InChIKey of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is UVBWKCMVDHKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S2/c1-2-18-11(17-9-4-3-7-15-13(9)18)8-16-22(19,20)12-6-5-10(14)21-12/h3-7,16H,2,8H2,1H3.
What are the key properties of 5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 356.86 g/mol, XLogP of 2.64, 5 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]thiophene-2-sulfonamide is sourced from PubChem (CID 53022466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).