N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide

C22H28N4O2S — CID 53022499

IUPACN-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1C
InChIInChI=1S/C22H28N4O2S/c1-15-12-17(3)20(13-16(15)2)29(27,28)24-14-21-25-19-10-7-11-23-22(19)26(21)18-8-5-4-6-9-18/h7,10-13,18,24H,4-6,8-9,14H2,1-3H3
InChIKeyDLOKJPMXVQZPAH-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.34
Rot. Bonds5

About N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide

N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide (PubChem CID 53022499) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide
PubChem CID53022499
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1C
InChIInChI=1S/C22H28N4O2S/c1-15-12-17(3)20(13-16(15)2)29(27,28)24-14-21-25-19-10-7-11-23-22(19)26(21)18-8-5-4-6-9-18/h7,10-13,18,24H,4-6,8-9,14H2,1-3H3
InChIKeyDLOKJPMXVQZPAH-UHFFFAOYSA-N
XLogP4.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
CID 53022486
4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53022536
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53010984
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53022535
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
CID 53022556
N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
CID 53022532
3-chloro-N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 53011007
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
3-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344280
1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 50788040
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide (CID 53022499) is N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1C.
What is the InChIKey of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is DLOKJPMXVQZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-15-12-17(3)20(13-16(15)2)29(27,28)24-14-21-25-19-10-7-11-23-22(19)26(21)18-8-5-4-6-9-18/h7,10-13,18,24H,4-6,8-9,14H2,1-3H3.
What are the key properties of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide?
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 53022499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).