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

C17H17N3O4S — CID 5310523

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17N3O4S/c21-25(22,14-4-5-15-16(11-14)24-10-9-23-15)18-7-6-13-12-20-8-2-1-3-17(20)19-13/h1-5,8,11-12,18H,6-7,9-10H2
InChIKeySRWNHANMALZBDC-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.63
Rot. Bonds5

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

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 5310523) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID5310523
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17N3O4S/c21-25(22,14-4-5-15-16(11-14)24-10-9-23-15)18-7-6-13-12-20-8-2-1-3-17(20)19-13/h1-5,8,11-12,18H,6-7,9-10H2
InChIKeySRWNHANMALZBDC-UHFFFAOYSA-N
XLogP1.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 126720428
1-[5-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-(methylamino)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)propan-1-one
CID 166627859
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 2999912
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5310361
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5310429
N-(2-{7-methylimidazo[1,2-a]pyridin-2-yl}ethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7150796
3-[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 16024682
3-{1-[(3,4-dimethoxyphenyl)sulfonyl]piperidin-4-yl}-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine
CID 16024735
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 162655699
US11649237, Example 178
CID 137525057
1-[5-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-(methylamino)-2-(6-methylimidazo[1,2-a]pyridin-8-yl)propan-1-one
CID 166633275
1-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-5-fluoro-1H-benzoimidazole
CID 647280

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 5310523) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is SRWNHANMALZBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-25(22,14-4-5-15-16(11-14)24-10-9-23-15)18-7-6-13-12-20-8-2-1-3-17(20)19-13/h1-5,8,11-12,18H,6-7,9-10H2.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 5310523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).