3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide

C15H15ClN4O2S — CID 58885277

IUPAC3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnc2c(c1)nc(C)n2C
InChIInChI=1S/C15H15ClN4O2S/c1-9-12(16)5-4-6-14(9)23(21,22)19-11-7-13-15(17-8-11)20(3)10(2)18-13/h4-8,19H,1-3H3
InChIKeyKDBZBXJFBMJIEN-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.04
Rot. Bonds3

About 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide

3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide (PubChem CID 58885277) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide
PubChem CID58885277
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnc2c(c1)nc(C)n2C
InChIInChI=1S/C15H15ClN4O2S/c1-9-12(16)5-4-6-14(9)23(21,22)19-11-7-13-15(17-8-11)20(3)10(2)18-13/h4-8,19H,1-3H3
InChIKeyKDBZBXJFBMJIEN-UHFFFAOYSA-N
XLogP3.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
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CID 59018209
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53024849
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300152

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide (CID 58885277) is 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc2c(c1)nc(C)n2C.
What is the InChIKey of 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide?
The InChIKey is KDBZBXJFBMJIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-9-12(16)5-4-6-14(9)23(21,22)19-11-7-13-15(17-8-11)20(3)10(2)18-13/h4-8,19H,1-3H3.
What are the key properties of 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide?
3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 58885277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).