N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide

C13H10FNO4S — CID 718546

IUPACN-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C13H10FNO4S/c14-9-1-4-11(5-2-9)20(16,17)15-10-3-6-12-13(7-10)19-8-18-12/h1-7,15H,8H2
InChIKeyJXIVBOLOHGUYQW-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.36
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide (PubChem CID 718546) has the molecular formula C13H10FNO4S and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
PubChem CID718546
Molecular FormulaC13H10FNO4S
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C13H10FNO4S/c14-9-1-4-11(5-2-9)20(16,17)15-10-3-6-12-13(7-10)19-8-18-12/h1-7,15H,8H2
InChIKeyJXIVBOLOHGUYQW-UHFFFAOYSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(1,3-benzodioxol-5-yl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757773
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 8841643
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
N-(1,3-benzodioxol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3861859
N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
CID 110426256
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide (CID 718546) is N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
The InChIKey is JXIVBOLOHGUYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S/c14-9-1-4-11(5-2-9)20(16,17)15-10-3-6-12-13(7-10)19-8-18-12/h1-7,15H,8H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide has a molecular weight of 295.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 718546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).