4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

C21H20N4O2S — CID 172554904

IUPAC4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCc1ncc2nc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2c1-c1ccccc1
InChIInChI=1S/C21H20N4O2S/c1-14-20(17-6-4-3-5-7-17)21-19(12-23-14)24-15(2)25(21)13-16-8-10-18(11-9-16)28(22,26)27/h3-12H,13H2,1-2H3,(H2,22,26,27)
InChIKeyBCDNSECGVVQQDL-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.41
Rot. Bonds4

About 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (PubChem CID 172554904) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
PubChem CID172554904
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCc1ncc2nc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2c1-c1ccccc1
InChIInChI=1S/C21H20N4O2S/c1-14-20(17-6-4-3-5-7-17)21-19(12-23-14)24-15(2)25(21)13-16-8-10-18(11-9-16)28(22,26)27/h3-12H,13H2,1-2H3,(H2,22,26,27)
InChIKeyBCDNSECGVVQQDL-UHFFFAOYSA-N
XLogP3.41
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl] sulfamate
CID 176511024
4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide
CID 25025229
4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 165064656
4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide
CID 164968300
4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide
CID 171716810
4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355971
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
CID 164987207
4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide
CID 90757858
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide
CID 142707215

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (CID 172554904) is 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is Cc1ncc2nc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2c1-c1ccccc1.
What is the InChIKey of 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The InChIKey is BCDNSECGVVQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-20(17-6-4-3-5-7-17)21-19(12-23-14)24-15(2)25(21)13-16-8-10-18(11-9-16)28(22,26)27/h3-12H,13H2,1-2H3,(H2,22,26,27).
What are the key properties of 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 172554904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).