N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C19H20F2N2O6S2 — CID 25243774

IUPACN-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20F2N2O6S2/c20-15-2-1-3-16(21)19(15)31(26,27)23-8-6-13(7-9-23)22-30(24,25)14-4-5-17-18(12-14)29-11-10-28-17/h1-5,12-13,22H,6-11H2
InChIKeyZBWKUXSCHRYUKC-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.87
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 25243774) has the molecular formula C19H20F2N2O6S2 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID25243774
Molecular FormulaC19H20F2N2O6S2
Molecular Weight474.51 g/mol
Exact Mass474.07
IUPAC NameN-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20F2N2O6S2/c20-15-2-1-3-16(21)19(15)31(26,27)23-8-6-13(7-9-23)22-30(24,25)14-4-5-17-18(12-14)29-11-10-28-17/h1-5,12-13,22H,6-11H2
InChIKeyZBWKUXSCHRYUKC-UHFFFAOYSA-N
XLogP1.87
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243785
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]methyl]-2,6-difluorobenzenesulfonamide
CID 25243778
1-(2,6-difluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 113081310
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 51169909
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7564780
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43971438
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6489771
N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122276592

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 25243774) is N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is ZBWKUXSCHRYUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O6S2/c20-15-2-1-3-16(21)19(15)31(26,27)23-8-6-13(7-9-23)22-30(24,25)14-4-5-17-18(12-14)29-11-10-28-17/h1-5,12-13,22H,6-11H2.
What are the key properties of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 474.51 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 25243774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).