N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide

C22H19N5O3S — CID 24988165

IUPACN-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C22H19N5O3S/c1-23-31(29,30)17-5-3-16(4-6-17)26-19-8-9-20(27-11-10-24-21(19)27)14-2-7-18-15(12-14)13-25-22(18)28/h2-12,23,26H,13H2,1H3,(H,25,28)
InChIKeyJUMYFZJPDJPEDB-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide

N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide (PubChem CID 24988165) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
PubChem CID24988165
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C22H19N5O3S/c1-23-31(29,30)17-5-3-16(4-6-17)26-19-8-9-20(27-11-10-24-21(19)27)14-2-7-18-15(12-14)13-25-22(18)28/h2-12,23,26H,13H2,1H3,(H,25,28)
InChIKeyJUMYFZJPDJPEDB-UHFFFAOYSA-N
XLogP2.90
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide (CID 24988165) is N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide?
The InChIKey is JUMYFZJPDJPEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-23-31(29,30)17-5-3-16(4-6-17)26-19-8-9-20(27-11-10-24-21(19)27)14-2-7-18-15(12-14)13-25-22(18)28/h2-12,23,26H,13H2,1H3,(H,25,28).
What are the key properties of N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide?
N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide has a molecular weight of 433.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide is sourced from PubChem (CID 24988165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).