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

C18H20N2O4S — CID 1148713

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O4S/c21-25(22,16-6-7-17-18(14-16)24-13-12-23-17)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyCTWVDRKGORXLNZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.97
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine (PubChem CID 1148713) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine
PubChem CID1148713
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O4S/c21-25(22,16-6-7-17-18(14-16)24-13-12-23-17)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyCTWVDRKGORXLNZ-UHFFFAOYSA-N
XLogP1.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine (CID 1148713) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine?
The InChIKey is CTWVDRKGORXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-25(22,16-6-7-17-18(14-16)24-13-12-23-17)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,14H,8-13H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine has a molecular weight of 360.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine is sourced from PubChem (CID 1148713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).