1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine

C19H19F2NO6S2 — CID 25243738

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H19F2NO6S2/c20-15-2-1-3-16(21)19(15)30(25,26)22-8-6-13(7-9-22)29(23,24)14-4-5-17-18(12-14)28-11-10-27-17/h1-5,12-13H,6-11H2
InChIKeyXSJUVNKSTVZGGZ-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.36
Rot. Bonds4

About 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine

1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine (PubChem CID 25243738) has the molecular formula C19H19F2NO6S2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
PubChem CID25243738
Molecular FormulaC19H19F2NO6S2
Molecular Weight459.49 g/mol
Exact Mass459.06
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H19F2NO6S2/c20-15-2-1-3-16(21)19(15)30(25,26)22-8-6-13(7-9-22)29(23,24)14-4-5-17-18(12-14)28-11-10-27-17/h1-5,12-13H,6-11H2
InChIKeyXSJUVNKSTVZGGZ-UHFFFAOYSA-N
XLogP2.36
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine (CID 25243738) is 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine is O=S(=O)(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The InChIKey is XSJUVNKSTVZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO6S2/c20-15-2-1-3-16(21)19(15)30(25,26)22-8-6-13(7-9-22)29(23,24)14-4-5-17-18(12-14)28-11-10-27-17/h1-5,12-13H,6-11H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine has a molecular weight of 459.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine is sourced from PubChem (CID 25243738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).