N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide

C14H11F2NO4S — CID 2518528

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F
InChIInChI=1S/C14H11F2NO4S/c15-10-2-1-3-11(16)14(10)22(18,19)17-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2
InChIKeyHCYGMOITGBFBJH-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.54
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide (PubChem CID 2518528) has the molecular formula C14H11F2NO4S and a molecular weight of 327.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide
PubChem CID2518528
Molecular FormulaC14H11F2NO4S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F
InChIInChI=1S/C14H11F2NO4S/c15-10-2-1-3-11(16)14(10)22(18,19)17-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2
InChIKeyHCYGMOITGBFBJH-UHFFFAOYSA-N
XLogP2.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide (CID 2518528) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide?
The InChIKey is HCYGMOITGBFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4S/c15-10-2-1-3-11(16)14(10)22(18,19)17-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide has a molecular weight of 327.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 2518528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).