N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C19H19N3O4S — CID 71802001

IUPACN-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C19H19N3O4S/c23-27(24,16-6-7-17-18(11-16)26-10-9-25-17)22(14-4-5-14)13-15-12-20-19-3-1-2-8-21(15)19/h1-3,6-8,11-12,14H,4-5,9-10,13H2
InChIKeyCNIYQNVRBGJRRF-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.46
Rot. Bonds5

About N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 71802001) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID71802001
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C19H19N3O4S/c23-27(24,16-6-7-17-18(11-16)26-10-9-25-17)22(14-4-5-14)13-15-12-20-19-3-1-2-8-21(15)19/h1-3,6-8,11-12,14H,4-5,9-10,13H2
InChIKeyCNIYQNVRBGJRRF-UHFFFAOYSA-N
XLogP2.46
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570029
N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570047
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60580837
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 90570380
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679207
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 90569988
N,4-diethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570761
3-chloro-N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzamide
CID 90569872
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide
CID 90570427
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylbenzamide
CID 90569852
3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570747
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)quinoxaline-2-carboxamide
CID 90569964

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 71802001) is N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cnc2ccccn12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is CNIYQNVRBGJRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-27(24,16-6-7-17-18(11-16)26-10-9-25-17)22(14-4-5-14)13-15-12-20-19-3-1-2-8-21(15)19/h1-3,6-8,11-12,14H,4-5,9-10,13H2.
What are the key properties of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 71802001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).