2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide

C12H11BrClN3O2S — CID 79466509

IUPAC2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
SMILESNc1cc(Nc2ccc(Br)cc2Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C12H11BrClN3O2S/c13-7-1-3-11(9(14)5-7)17-8-2-4-12(10(15)6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyZMYQOVTYGINEJI-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide

2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide (PubChem CID 79466509) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
PubChem CID79466509
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC Name2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
SMILESNc1cc(Nc2ccc(Br)cc2Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C12H11BrClN3O2S/c13-7-1-3-11(9(14)5-7)17-8-2-4-12(10(15)6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyZMYQOVTYGINEJI-UHFFFAOYSA-N
XLogP3.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.08
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-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide
CID 83078013
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
2-amino-4-(2-cyano-4-fluoroanilino)benzenesulfonamide
CID 82015079
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
CID 79466458
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
5-amino-2-(3-bromo-4-fluoroanilino)benzenesulfonamide
CID 104775562

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide (CID 79466509) is 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide is Nc1cc(Nc2ccc(Br)cc2Cl)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide?
The InChIKey is ZMYQOVTYGINEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c13-7-1-3-11(9(14)5-7)17-8-2-4-12(10(15)6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide?
2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide is sourced from PubChem (CID 79466509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).