2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide

C23H24N4O3S — CID 15236323

IUPAC2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NO)cc1
InChIInChI=1S/C23H24N4O3S/c1-4-21-25-22-15(2)13-16(3)24-23(22)27(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)31(29,30)26-28/h5-13,26,28H,4,14H2,1-3H3
InChIKeyOYOOXKHMZCGCKY-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.99
Rot. Bonds6

About 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide

2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide (PubChem CID 15236323) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide
PubChem CID15236323
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NO)cc1
InChIInChI=1S/C23H24N4O3S/c1-4-21-25-22-15(2)13-16(3)24-23(22)27(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)31(29,30)26-28/h5-13,26,28H,4,14H2,1-3H3
InChIKeyOYOOXKHMZCGCKY-UHFFFAOYSA-N
XLogP3.99
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide?
The IUPAC name of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide (CID 15236323) is 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide.
What is the SMILES notation for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide?
The canonical SMILES for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NO)cc1.
What is the InChIKey of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide?
The InChIKey is OYOOXKHMZCGCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-4-21-25-22-15(2)13-16(3)24-23(22)27(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)31(29,30)26-28/h5-13,26,28H,4,14H2,1-3H3.
What are the key properties of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide?
2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-hydroxybenzenesulfonamide is sourced from PubChem (CID 15236323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).