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

C19H19F2NO6S2 — CID 25243744

IUPAC4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
SMILESO=S(=O)(c1c(F)cccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C19H19F2NO6S2/c20-15-2-1-3-16(21)19(15)29(23,24)13-6-8-22(9-7-13)30(25,26)14-4-5-17-18(12-14)28-11-10-27-17/h1-5,12-13H,6-11H2
InChIKeyNXEHFHDFBNFPHZ-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.36
Rot. Bonds4

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

4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine (PubChem CID 25243744) has the molecular formula C19H19F2NO6S2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
PubChem CID25243744
Molecular FormulaC19H19F2NO6S2
Molecular Weight459.49 g/mol
Exact Mass459.06
IUPAC Name4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
SMILESO=S(=O)(c1c(F)cccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C19H19F2NO6S2/c20-15-2-1-3-16(21)19(15)29(23,24)13-6-8-22(9-7-13)30(25,26)14-4-5-17-18(12-14)28-11-10-27-17/h1-5,12-13H,6-11H2
InChIKeyNXEHFHDFBNFPHZ-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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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
N-[2-(phenylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2897360
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
1-(2,4-Difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243715
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2,4,5-trifluorophenyl)sulfonylpiperazine
CID 25243716

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The IUPAC name of 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine (CID 25243744) is 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine.
What is the SMILES notation for 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The canonical SMILES for 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine is O=S(=O)(c1c(F)cccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The InChIKey is NXEHFHDFBNFPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO6S2/c20-15-2-1-3-16(21)19(15)29(23,24)13-6-8-22(9-7-13)30(25,26)14-4-5-17-18(12-14)28-11-10-27-17/h1-5,12-13H,6-11H2.
What are the key properties of 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
4-(2,6-difluorophenyl)sulfonyl-1-(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 4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine is sourced from PubChem (CID 25243744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).