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

C14H11F2NO4S — CID 2376193

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO4S/c15-11-3-2-10(8-12(11)16)22(18,19)17-9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8,17H,5-6H2
InChIKeyCTOMLJHRZOBUDT-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.54
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 2376193) 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)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
PubChem CID2376193
Molecular FormulaC14H11F2NO4S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO4S/c15-11-3-2-10(8-12(11)16)22(18,19)17-9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8,17H,5-6H2
InChIKeyCTOMLJHRZOBUDT-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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Related Compounds

1,4-Benzodioxan-6-ylamine
CID 89148
2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 698008
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide
CID 732537
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzenesulfonamide
CID 852233
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1129998
N-(1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide
CID 2384847
N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 341400
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenesulfonamide
CID 713129
N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1004366
N-1,3-benzodioxol-5-yl-5-fluoro-2-methoxybenzenesulfonamide
CID 1508539
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide (CID 2376193) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is CTOMLJHRZOBUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4S/c15-11-3-2-10(8-12(11)16)22(18,19)17-9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8,17H,5-6H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-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)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2376193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).