3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide

C12H8Br2ClFN2O2S — CID 62955653

IUPAC3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2Br)c1Br
InChIInChI=1S/C12H8Br2ClFN2O2S/c13-8-5-7(16)1-2-10(8)18-21(19,20)11-4-6(15)3-9(17)12(11)14/h1-5,18H,17H2
InChIKeyNLFSCFSYGFDJDT-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.39
Rot. Bonds3

About 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide

3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide (PubChem CID 62955653) has the molecular formula C12H8Br2ClFN2O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
PubChem CID62955653
Molecular FormulaC12H8Br2ClFN2O2S
Molecular Weight458.53 g/mol
Exact Mass455.83
IUPAC Name3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2Br)c1Br
InChIInChI=1S/C12H8Br2ClFN2O2S/c13-8-5-7(16)1-2-10(8)18-21(19,20)11-4-6(15)3-9(17)12(11)14/h1-5,18H,17H2
InChIKeyNLFSCFSYGFDJDT-UHFFFAOYSA-N
XLogP4.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide (CID 62955653) is 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2Br)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide?
The InChIKey is NLFSCFSYGFDJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClFN2O2S/c13-8-5-7(16)1-2-10(8)18-21(19,20)11-4-6(15)3-9(17)12(11)14/h1-5,18H,17H2.
What are the key properties of 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide?
3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide has a molecular weight of 458.53 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide is sourced from PubChem (CID 62955653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).