N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide

C13H11BrF2N2O2S — CID 43550996

IUPACN-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-4-8(14)5-11(17)13(7)18-21(19,20)12-3-2-9(15)6-10(12)16/h2-6,18H,17H2,1H3
InChIKeyMJOAMXKFSDXGDU-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.42
Rot. Bonds3

About N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide

N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 43550996) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID43550996
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-4-8(14)5-11(17)13(7)18-21(19,20)12-3-2-9(15)6-10(12)16/h2-6,18H,17H2,1H3
InChIKeyMJOAMXKFSDXGDU-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide 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 N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide (CID 43550996) is N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide is Cc1cc(Br)cc(N)c1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is MJOAMXKFSDXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-7-4-8(14)5-11(17)13(7)18-21(19,20)12-3-2-9(15)6-10(12)16/h2-6,18H,17H2,1H3.
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide?
N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 377.21 g/mol, XLogP of 3.42, 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-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43550996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).