N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide

C19H20F2N2O6S2 — CID 25243797

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O6S2/c20-15-2-1-3-16(21)19(15)30(24,25)22-13-6-8-23(9-7-13)31(26,27)14-4-5-17-18(12-14)29-11-10-28-17/h1-5,12-13,22H,6-11H2
InChIKeyLPYDZAPPGTYNGQ-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.87
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 25243797) has the molecular formula C19H20F2N2O6S2 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
PubChem CID25243797
Molecular FormulaC19H20F2N2O6S2
Molecular Weight474.51 g/mol
Exact Mass474.07
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O6S2/c20-15-2-1-3-16(21)19(15)30(24,25)22-13-6-8-23(9-7-13)31(26,27)14-4-5-17-18(12-14)29-11-10-28-17/h1-5,12-13,22H,6-11H2
InChIKeyLPYDZAPPGTYNGQ-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide (CID 25243797) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide is O=S(=O)(NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is LPYDZAPPGTYNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O6S2/c20-15-2-1-3-16(21)19(15)30(24,25)22-13-6-8-23(9-7-13)31(26,27)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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide 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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 25243797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).