N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

C16H18N4O2S — CID 53021024

IUPACN-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC(C)n1c(CNS(=O)(=O)c2ccccc2)nc2cccnc21
InChIInChI=1S/C16H18N4O2S/c1-12(2)20-15(19-14-9-6-10-17-16(14)20)11-18-23(21,22)13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyDFHCLXFZEKPGQS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.49
Rot. Bonds5

About N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 53021024) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID53021024
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC(C)n1c(CNS(=O)(=O)c2ccccc2)nc2cccnc21
InChIInChI=1S/C16H18N4O2S/c1-12(2)20-15(19-14-9-6-10-17-16(14)20)11-18-23(21,22)13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyDFHCLXFZEKPGQS-UHFFFAOYSA-N
XLogP2.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53010980
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 156599916
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53022572
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 53022613
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
4-methoxy-N-[[3-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53020721

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (CID 53021024) is N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is CC(C)n1c(CNS(=O)(=O)c2ccccc2)nc2cccnc21.
What is the InChIKey of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is DFHCLXFZEKPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-12(2)20-15(19-14-9-6-10-17-16(14)20)11-18-23(21,22)13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53021024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).