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

C12H8Br2F2N2O2S — CID 43550660

IUPACN-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8Br2F2N2O2S/c13-6-3-8(14)12(11(17)4-6)18-21(19,20)7-1-2-9(15)10(16)5-7/h1-5,18H,17H2
InChIKeyYRBISPLBJJMCAD-UHFFFAOYSA-N
MW442.08 g/mol
LogP3.87
Rot. Bonds3

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

N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 43550660) has the molecular formula C12H8Br2F2N2O2S and a molecular weight of 442.08 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID43550660
Molecular FormulaC12H8Br2F2N2O2S
Molecular Weight442.08 g/mol
Exact Mass439.86
IUPAC NameN-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8Br2F2N2O2S/c13-6-3-8(14)12(11(17)4-6)18-21(19,20)7-1-2-9(15)10(16)5-7/h1-5,18H,17H2
InChIKeyYRBISPLBJJMCAD-UHFFFAOYSA-N
XLogP3.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.08
LogP ≤ 53.87
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-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 43168233
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide (CID 43550660) is N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide is Nc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is YRBISPLBJJMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F2N2O2S/c13-6-3-8(14)12(11(17)4-6)18-21(19,20)7-1-2-9(15)10(16)5-7/h1-5,18H,17H2.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide?
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 442.08 g/mol, XLogP of 3.87, 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-dibromophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43550660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).