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

C18H16F2N2O7S2 — CID 25243734

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C18H16F2N2O7S2/c19-13-2-1-3-14(20)18(13)31(26,27)22-7-6-21(11-17(22)23)30(24,25)12-4-5-15-16(10-12)29-9-8-28-15/h1-5,10H,6-9,11H2
InChIKeyFBUHIDBBFAYPPE-UHFFFAOYSA-N
MW474.46 g/mol
LogP0.96
Rot. Bonds4

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

1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one (PubChem CID 25243734) has the molecular formula C18H16F2N2O7S2 and a molecular weight of 474.46 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one
PubChem CID25243734
Molecular FormulaC18H16F2N2O7S2
Molecular Weight474.46 g/mol
Exact Mass474.04
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C18H16F2N2O7S2/c19-13-2-1-3-14(20)18(13)31(26,27)22-7-6-21(11-17(22)23)30(24,25)12-4-5-15-16(10-12)29-9-8-28-15/h1-5,10H,6-9,11H2
InChIKeyFBUHIDBBFAYPPE-UHFFFAOYSA-N
XLogP0.96
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperazine
CID 650361
1-((2,6-Difluorophenyl)sulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25210493
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243730
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
CID 2455954
2-[4-(3,4-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 3457818
1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-4-(toluene-4-sulfonyl)-piperazine
CID 644661
1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-4-((3-fluorophenyl)sulfonyl)piperazine
CID 2460181
1,4-Bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 24420500
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methoxyphenyl)sulfonylpiperazine
CID 25243709
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 25243710
1-(Benzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243713
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 25243714

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one (CID 25243734) is 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one?
The InChIKey is FBUHIDBBFAYPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O7S2/c19-13-2-1-3-14(20)18(13)31(26,27)22-7-6-21(11-17(22)23)30(24,25)12-4-5-15-16(10-12)29-9-8-28-15/h1-5,10H,6-9,11H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one?
1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one has a molecular weight of 474.46 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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)piperazin-2-one is sourced from PubChem (CID 25243734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).