1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine

C18H19FN2O6S2 — CID 2460181

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H19FN2O6S2/c19-14-2-1-3-15(12-14)28(22,23)20-6-8-21(9-7-20)29(24,25)16-4-5-17-18(13-16)27-11-10-26-17/h1-5,12-13H,6-11H2
InChIKeySOEFEUAERZUSNF-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.29
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 2460181) has the molecular formula C18H19FN2O6S2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine
PubChem CID2460181
Molecular FormulaC18H19FN2O6S2
Molecular Weight442.49 g/mol
Exact Mass442.07
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H19FN2O6S2/c19-14-2-1-3-15(12-14)28(22,23)20-6-8-21(9-7-20)29(24,25)16-4-5-17-18(13-16)27-11-10-26-17/h1-5,12-13H,6-11H2
InChIKeySOEFEUAERZUSNF-UHFFFAOYSA-N
XLogP1.29
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine (CID 2460181) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is SOEFEUAERZUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O6S2/c19-14-2-1-3-15(12-14)28(22,23)20-6-8-21(9-7-20)29(24,25)16-4-5-17-18(13-16)27-11-10-26-17/h1-5,12-13H,6-11H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine has a molecular weight of 442.49 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).