N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide

C12H8F4N2O2S — CID 81305049

IUPACN-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F4N2O2S/c13-6-3-10(16)12(11(17)4-6)18-21(19,20)7-1-2-8(14)9(15)5-7/h1-5,18H,17H2
InChIKeyFQLUUSYMMRZFIK-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.63
Rot. Bonds3

About N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide

N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 81305049) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID81305049
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC NameN-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F4N2O2S/c13-6-3-10(16)12(11(17)4-6)18-21(19,20)7-1-2-8(14)9(15)5-7/h1-5,18H,17H2
InChIKeyFQLUUSYMMRZFIK-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 81314823
N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
CID 81305247
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 43168233
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide (CID 81305049) is N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide is Nc1cc(F)cc(F)c1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is FQLUUSYMMRZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-6-3-10(16)12(11(17)4-6)18-21(19,20)7-1-2-8(14)9(15)5-7/h1-5,18H,17H2.
What are the key properties of N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 320.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 81305049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).