1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine

C17H19N3O6S2 — CID 25243746

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccn2)CC1
InChIInChI=1S/C17H19N3O6S2/c21-27(22,14-4-5-15-16(13-14)26-12-11-25-15)19-7-9-20(10-8-19)28(23,24)17-3-1-2-6-18-17/h1-6,13H,7-12H2
InChIKeyZIHZMWJPJKTMSZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP0.55
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine (PubChem CID 25243746) has the molecular formula C17H19N3O6S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine
PubChem CID25243746
Molecular FormulaC17H19N3O6S2
Molecular Weight425.49 g/mol
Exact Mass425.07
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccn2)CC1
InChIInChI=1S/C17H19N3O6S2/c21-27(22,14-4-5-15-16(13-14)26-12-11-25-15)19-7-9-20(10-8-19)28(23,24)17-3-1-2-6-18-17/h1-6,13H,7-12H2
InChIKeyZIHZMWJPJKTMSZ-UHFFFAOYSA-N
XLogP0.55
TPSA106.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
N-(pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722533
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 817443
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2315879
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfonylpiperazine
CID 25243747
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-3-ylbenzenesulfonamide
CID 118526919
3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 768995
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-pyridin-3-ylacetamide
CID 1085660
4-(2-methoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 983975
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
CID 1281364
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2366879

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine (CID 25243746) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccn2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine?
The InChIKey is ZIHZMWJPJKTMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S2/c21-27(22,14-4-5-15-16(13-14)26-12-11-25-15)19-7-9-20(10-8-19)28(23,24)17-3-1-2-6-18-17/h1-6,13H,7-12H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine has a molecular weight of 425.49 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-2-ylsulfonylpiperazine is sourced from PubChem (CID 25243746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).