N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H16ClN3O3S — CID 90012691

IUPACN-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H16ClN3O3S/c22-18-3-1-2-4-19(18)29(27,28)17-8-5-15(6-9-17)13-24-21(26)16-7-10-20-23-11-12-25(20)14-16/h1-12,14H,13H2,(H,24,26)
InChIKeyLZYUKOQBPOTWEL-UHFFFAOYSA-N
MW425.90 g/mol
LogP3.75
Rot. Bonds5

About N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90012691) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90012691
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H16ClN3O3S/c22-18-3-1-2-4-19(18)29(27,28)17-8-5-15(6-9-17)13-24-21(26)16-7-10-20-23-11-12-25(20)14-16/h1-12,14H,13H2,(H,24,26)
InChIKeyLZYUKOQBPOTWEL-UHFFFAOYSA-N
XLogP3.75
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588
N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 87074884
N-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012461
N-[[4-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66610408
N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012821
N-[[4-[5-(dimethylamino)pyrazin-2-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66634626
N-[(4-naphthalen-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943499
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71818455
4-[(3-chlorophenyl)sulfamoyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 56928346
N-[[4-[[(1S,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012584
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90012691) is N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LZYUKOQBPOTWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c22-18-3-1-2-4-19(18)29(27,28)17-8-5-15(6-9-17)13-24-21(26)16-7-10-20-23-11-12-25(20)14-16/h1-12,14H,13H2,(H,24,26).
What are the key properties of N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90012691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).