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

C12H8Br3FN2O2S — CID 107624697

IUPAC2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H8Br3FN2O2S/c13-6-3-9(15)12(10(17)4-6)21(19,20)18-11-5-7(16)1-2-8(11)14/h1-5,18H,17H2
InChIKeyPQUIQSYYNPBGEU-UHFFFAOYSA-N
MW502.99 g/mol
LogP4.50
Rot. Bonds3

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

2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide (PubChem CID 107624697) has the molecular formula C12H8Br3FN2O2S and a molecular weight of 502.99 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
PubChem CID107624697
Molecular FormulaC12H8Br3FN2O2S
Molecular Weight502.99 g/mol
Exact Mass499.78
IUPAC Name2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H8Br3FN2O2S/c13-6-3-9(15)12(10(17)4-6)21(19,20)18-11-5-7(16)1-2-8(11)14/h1-5,18H,17H2
InChIKeyPQUIQSYYNPBGEU-UHFFFAOYSA-N
XLogP4.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.99
LogP ≤ 54.50
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

2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 43257318
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103752882
1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107629618

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide (CID 107624697) is 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide is Nc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
The InChIKey is PQUIQSYYNPBGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3FN2O2S/c13-6-3-9(15)12(10(17)4-6)21(19,20)18-11-5-7(16)1-2-8(11)14/h1-5,18H,17H2.
What are the key properties of 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide has a molecular weight of 502.99 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 107624697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).