5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide

C12H8Br2F2N2O2S — CID 65201956

IUPAC5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C12H8Br2F2N2O2S/c13-8-2-1-7(17)5-11(8)21(19,20)18-12-9(14)3-6(15)4-10(12)16/h1-5,18H,17H2
InChIKeyKYDZSSHNNHJFCS-UHFFFAOYSA-N
MW442.08 g/mol
LogP3.87
Rot. Bonds3

About 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide

5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide (PubChem CID 65201956) has the molecular formula C12H8Br2F2N2O2S and a molecular weight of 442.08 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
PubChem CID65201956
Molecular FormulaC12H8Br2F2N2O2S
Molecular Weight442.08 g/mol
Exact Mass439.86
IUPAC Name5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C12H8Br2F2N2O2S/c13-8-2-1-7(17)5-11(8)21(19,20)18-12-9(14)3-6(15)4-10(12)16/h1-5,18H,17H2
InChIKeyKYDZSSHNNHJFCS-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

5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 65202383
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 43168233
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide (CID 65201956) is 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide?
The InChIKey is KYDZSSHNNHJFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F2N2O2S/c13-8-2-1-7(17)5-11(8)21(19,20)18-12-9(14)3-6(15)4-10(12)16/h1-5,18H,17H2.
What are the key properties of 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide?
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide 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 5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 65201956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).