N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide

C13H8F3NO4S — CID 8841643

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(F)cc1
InChIInChI=1S/C13H8F3NO4S/c14-8-1-4-10(5-2-8)22(18,19)17-9-3-6-11-12(7-9)21-13(15,16)20-11/h1-7,17H
InChIKeyMIVSKFAYABVTEX-UHFFFAOYSA-N
MW331.27 g/mol
LogP2.95
Rot. Bonds3

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide (PubChem CID 8841643) has the molecular formula C13H8F3NO4S and a molecular weight of 331.27 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
PubChem CID8841643
Molecular FormulaC13H8F3NO4S
Molecular Weight331.27 g/mol
Exact Mass331.01
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(F)cc1
InChIInChI=1S/C13H8F3NO4S/c14-8-1-4-10(5-2-8)22(18,19)17-9-3-6-11-12(7-9)21-13(15,16)20-11/h1-7,17H
InChIKeyMIVSKFAYABVTEX-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide 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-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
2-chloro-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid
CID 25331541
methyl 2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenoxy]acetate
CID 47062781
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 8841662
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18092899
4-[(4-fluorophenyl)sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280599
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide
CID 43107627
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-4-fluorobenzenesulfonamide
CID 40957298
4-fluoro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 697338
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide (CID 8841643) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
The InChIKey is MIVSKFAYABVTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4S/c14-8-1-4-10(5-2-8)22(18,19)17-9-3-6-11-12(7-9)21-13(15,16)20-11/h1-7,17H.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide has a molecular weight of 331.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 8841643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).