2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide

C13H14BrN3O2S — CID 115992915

IUPAC2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
SMILESCc1ccc(Br)c(Nc2cccc(S(N)(=O)=O)c2N)c1
InChIInChI=1S/C13H14BrN3O2S/c1-8-5-6-9(14)11(7-8)17-10-3-2-4-12(13(10)15)20(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyMOTYRBGJNHDVJQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide

2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide (PubChem CID 115992915) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
PubChem CID115992915
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
SMILESCc1ccc(Br)c(Nc2cccc(S(N)(=O)=O)c2N)c1
InChIInChI=1S/C13H14BrN3O2S/c1-8-5-6-9(14)11(7-8)17-10-3-2-4-12(13(10)15)20(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyMOTYRBGJNHDVJQ-UHFFFAOYSA-N
XLogP2.73
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
2-N-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
2-amino-3-(3-bromo-4-methoxyanilino)benzenesulfonamide
CID 115992812
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-amino-3-(2,5-difluoroanilino)benzenesulfonamide
CID 115992299
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
CID 115992284
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide (CID 115992915) is 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide is Cc1ccc(Br)c(Nc2cccc(S(N)(=O)=O)c2N)c1.
What is the InChIKey of 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide?
The InChIKey is MOTYRBGJNHDVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8-5-6-9(14)11(7-8)17-10-3-2-4-12(13(10)15)20(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide?
2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide is sourced from PubChem (CID 115992915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).