2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide

C21H19ClN4O2S — CID 53020666

IUPAC2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1
InChIInChI=1S/C21H19ClN4O2S/c1-15-8-10-16(11-9-15)14-26-20(25-18-6-4-12-23-21(18)26)13-24-29(27,28)19-7-3-2-5-17(19)22/h2-12,24H,13-14H2,1H3
InChIKeyAMWJFSQWJZTIIL-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.92
Rot. Bonds6

About 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide

2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (PubChem CID 53020666) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
PubChem CID53020666
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1
InChIInChI=1S/C21H19ClN4O2S/c1-15-8-10-16(11-9-15)14-26-20(25-18-6-4-12-23-21(18)26)13-24-29(27,28)19-7-3-2-5-17(19)22/h2-12,24H,13-14H2,1H3
InChIKeyAMWJFSQWJZTIIL-UHFFFAOYSA-N
XLogP3.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 53022402
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 53022613
N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53020746
1-(difluoromethyl)-N-[[3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylpyrazole-4-sulfonamide
CID 53020740
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide
CID 53022404
N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53022329
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 53022372
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (CID 53020666) is 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is Cc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1.
What is the InChIKey of 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The InChIKey is AMWJFSQWJZTIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-15-8-10-16(11-9-15)14-26-20(25-18-6-4-12-23-21(18)26)13-24-29(27,28)19-7-3-2-5-17(19)22/h2-12,24H,13-14H2,1H3.
What are the key properties of 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide has a molecular weight of 426.93 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53020666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).