1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide

C22H19N3O4S — CID 121149704

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CC1COc2ccccc2O1)Nc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C22H19N3O4S/c26-30(27,15-16-14-28-20-9-3-4-10-21(20)29-16)24-18-8-2-1-7-17(18)19-13-25-12-6-5-11-22(25)23-19/h1-13,16,24H,14-15H2
InChIKeyXJFKDSVIUBUCKM-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide (PubChem CID 121149704) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
PubChem CID121149704
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CC1COc2ccccc2O1)Nc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C22H19N3O4S/c26-30(27,15-16-14-28-20-9-3-4-10-21(20)29-16)24-18-8-2-1-7-17(18)19-13-25-12-6-5-11-22(25)23-19/h1-13,16,24H,14-15H2
InChIKeyXJFKDSVIUBUCKM-UHFFFAOYSA-N
XLogP3.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 90626917
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
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide
CID 136571220
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanesulfonyl chloride
CID 98488242
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)ethanesulfonamide
CID 23608319
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 121148841
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate
CID 121149702
1-cyclopentyl-3-(2-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121149732
2-imidazo[1,2-a]pyridin-2-yl-N-(morpholin-4-yloxymethyl)aniline
CID 163947461
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide (CID 121149704) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide is O=S(=O)(CC1COc2ccccc2O1)Nc1ccccc1-c1cn2ccccc2n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
The InChIKey is XJFKDSVIUBUCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c26-30(27,15-16-14-28-20-9-3-4-10-21(20)29-16)24-18-8-2-1-7-17(18)19-13-25-12-6-5-11-22(25)23-19/h1-13,16,24H,14-15H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 121149704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).