methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate

C21H17N3O4S — CID 121149702

IUPACmethyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H17N3O4S/c1-28-21(25)15-9-11-16(12-10-15)29(26,27)23-18-7-3-2-6-17(18)19-14-24-13-5-4-8-20(24)22-19/h2-14,23H,1H3
InChIKeyOWVHJBRPFFYLNX-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.59
Rot. Bonds5

About methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate

methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate (PubChem CID 121149702) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate
PubChem CID121149702
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Namemethyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H17N3O4S/c1-28-21(25)15-9-11-16(12-10-15)29(26,27)23-18-7-3-2-6-17(18)19-14-24-13-5-4-8-20(24)22-19/h2-14,23H,1H3
InChIKeyOWVHJBRPFFYLNX-UHFFFAOYSA-N
XLogP3.59
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide
CID 121149649
N-[4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]phenyl]butanamide
CID 121149673
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121148942
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 121149620
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethylbenzenesulfonamide
CID 121149669
4-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122323097
5-[(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)sulfamoyl]-2-methoxybenzamide
CID 122323270
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)furan-3-carboxamide
CID 121149015
methyl 2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135442
3-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 122323277
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 121148841

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate (CID 121149702) is methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1.
What is the InChIKey of methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate?
The InChIKey is OWVHJBRPFFYLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-28-21(25)15-9-11-16(12-10-15)29(26,27)23-18-7-3-2-6-17(18)19-14-24-13-5-4-8-20(24)22-19/h2-14,23H,1H3.
What are the key properties of methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate?
methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate has a molecular weight of 407.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 121149702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).