N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C14H11F2NO4S — CID 8500598

IUPACN-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11F2NO4S/c15-9-1-3-11(16)12(7-9)17-22(18,19)10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8,17H,5-6H2
InChIKeyFMHWMSRULIKZEV-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.54
Rot. Bonds3

About N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 8500598) has the molecular formula C14H11F2NO4S and a molecular weight of 327.31 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID8500598
Molecular FormulaC14H11F2NO4S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC NameN-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11F2NO4S/c15-9-1-3-11(16)12(7-9)17-22(18,19)10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8,17H,5-6H2
InChIKeyFMHWMSRULIKZEV-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

Analyze N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
CID 55558783
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43604962
N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluorophenyl]acetamide
CID 46535085
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 8500598) is N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FMHWMSRULIKZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4S/c15-9-1-3-11(16)12(7-9)17-22(18,19)10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8,17H,5-6H2.
What are the key properties of N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide 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-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 8500598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).