3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide

C13H14BrN3O2S — CID 43449185

IUPAC3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccccc2Br)c(N)c1
InChIInChI=1S/C13H14BrN3O2S/c1-16-20(18,19)9-6-7-13(11(15)8-9)17-12-5-3-2-4-10(12)14/h2-8,16-17H,15H2,1H3
InChIKeyLVOXESIDMALBDS-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide

3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide (PubChem CID 43449185) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide
PubChem CID43449185
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccccc2Br)c(N)c1
InChIInChI=1S/C13H14BrN3O2S/c1-16-20(18,19)9-6-7-13(11(15)8-9)17-12-5-3-2-4-10(12)14/h2-8,16-17H,15H2,1H3
InChIKeyLVOXESIDMALBDS-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-4-(2,4-dibromoanilino)-N-methylbenzenesulfonamide
CID 61475283
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
1-N-(2-bromo-4-methylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448020
3-amino-4-(2,4-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449192
3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide
CID 43449178
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
3-amino-4-(2,5-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449169
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-bromo-4-[[(1S)-1-hydroxy-1-phenylethyl]amino]-N-methylbenzenesulfonamide
CID 155433450
4-amino-3-[(2-bromophenyl)methylamino]-N-methylbenzenesulfonamide
CID 82900167
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide (CID 43449185) is 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ccccc2Br)c(N)c1.
What is the InChIKey of 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide?
The InChIKey is LVOXESIDMALBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-16-20(18,19)9-6-7-13(11(15)8-9)17-12-5-3-2-4-10(12)14/h2-8,16-17H,15H2,1H3.
What are the key properties of 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide?
3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43449185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).