5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide

C13H13BrClN3O2S — CID 107618570

IUPAC5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H13BrClN3O2S/c1-17-21(19,20)13-6-8(16)2-5-12(13)18-9-3-4-10(14)11(15)7-9/h2-7,17-18H,16H2,1H3
InChIKeyFLSAHSYIASEADZ-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.34
Rot. Bonds4

About 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide

5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide (PubChem CID 107618570) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
PubChem CID107618570
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC Name5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H13BrClN3O2S/c1-17-21(19,20)13-6-8(16)2-5-12(13)18-9-3-4-10(14)11(15)7-9/h2-7,17-18H,16H2,1H3
InChIKeyFLSAHSYIASEADZ-UHFFFAOYSA-N
XLogP3.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-(4-bromo-3-chloroanilino)-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

5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
CID 103286682
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
CID 107618486
methyl 5-amino-2-(4-bromo-3-chloroanilino)benzoate
CID 107615632
5-amino-2-(2-bromo-6-fluoroanilino)-N-methylbenzenesulfonamide
CID 107596756
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687
1-N-(4-bromo-3-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 107618565
5-amino-2-(3-bromo-4-fluoroanilino)benzenesulfonamide
CID 104775562
5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
CID 103286692
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide
CID 43454338

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide (CID 107618570) is 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide?
The InChIKey is FLSAHSYIASEADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-17-21(19,20)13-6-8(16)2-5-12(13)18-9-3-4-10(14)11(15)7-9/h2-7,17-18H,16H2,1H3.
What are the key properties of 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide?
5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107618570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).