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

C14H12FNO4S — CID 730268

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO4S/c15-10-1-4-12(5-2-10)21(17,18)16-11-3-6-13-14(9-11)20-8-7-19-13/h1-6,9,16H,7-8H2
InChIKeyPQJPGCJXDJFYDE-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.40
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide (PubChem CID 730268) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide
PubChem CID730268
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO4S/c15-10-1-4-12(5-2-10)21(17,18)16-11-3-6-13-14(9-11)20-8-7-19-13/h1-6,9,16H,7-8H2
InChIKeyPQJPGCJXDJFYDE-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.40
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
CID 2376193
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide (CID 730268) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide?
The InChIKey is PQJPGCJXDJFYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-10-1-4-12(5-2-10)21(17,18)16-11-3-6-13-14(9-11)20-8-7-19-13/h1-6,9,16H,7-8H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide has a molecular weight of 309.32 g/mol, XLogP of 2.40, 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)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 730268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).