N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C22H19N3O4S — CID 121149747

IUPACN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cccn2cc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C22H19N3O4S/c1-15-5-4-10-25-14-19(23-22(15)25)17-6-2-3-7-18(17)24-30(26,27)16-8-9-20-21(13-16)29-12-11-28-20/h2-10,13-14,24H,11-12H2,1H3
InChIKeyBLCQGKPAZFXEKE-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.88
Rot. Bonds4

About N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 121149747) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID121149747
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cccn2cc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C22H19N3O4S/c1-15-5-4-10-25-14-19(23-22(15)25)17-6-2-3-7-18(17)24-30(26,27)16-8-9-20-21(13-16)29-12-11-28-20/h2-10,13-14,24H,11-12H2,1H3
InChIKeyBLCQGKPAZFXEKE-UHFFFAOYSA-N
XLogP3.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121149418
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122323542
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121149786
2-fluoro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 119099871
2-chloro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121149776
N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398558
5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121149779
1-(4-chlorophenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 121149174
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 121149066
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 121149747) is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1cccn2cc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc12.
What is the InChIKey of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is BLCQGKPAZFXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-15-5-4-10-25-14-19(23-22(15)25)17-6-2-3-7-18(17)24-30(26,27)16-8-9-20-21(13-16)29-12-11-28-20/h2-10,13-14,24H,11-12H2,1H3.
What are the key properties of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 421.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 121149747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).