2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide

C14H16BrN3O2S — CID 107115684

IUPAC2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2ccccc2Br)c1N
InChIInChI=1S/C14H16BrN3O2S/c1-18(2)21(19,20)13-9-5-8-12(14(13)16)17-11-7-4-3-6-10(11)15/h3-9,17H,16H2,1-2H3
InChIKeyVZFUOIJVBMUJMG-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.03
Rot. Bonds4

About 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide

2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide (PubChem CID 107115684) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
PubChem CID107115684
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2ccccc2Br)c1N
InChIInChI=1S/C14H16BrN3O2S/c1-18(2)21(19,20)13-9-5-8-12(14(13)16)17-11-7-4-3-6-10(11)15/h3-9,17H,16H2,1-2H3
InChIKeyVZFUOIJVBMUJMG-UHFFFAOYSA-N
XLogP3.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide 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 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide (CID 107115684) is 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Nc2ccccc2Br)c1N.
What is the InChIKey of 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is VZFUOIJVBMUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-18(2)21(19,20)13-9-5-8-12(14(13)16)17-11-7-4-3-6-10(11)15/h3-9,17H,16H2,1-2H3.
What are the key properties of 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107115684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).