2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide

C13H12BrClN2O2S — CID 43258932

IUPAC2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C13H12BrClN2O2S/c1-8-2-5-13(11(16)6-8)20(18,19)17-12-4-3-9(14)7-10(12)15/h2-7,17H,16H2,1H3
InChIKeyZSPSARZVLRSIBQ-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide

2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide (PubChem CID 43258932) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
PubChem CID43258932
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC Name2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C13H12BrClN2O2S/c1-8-2-5-13(11(16)6-8)20(18,19)17-12-4-3-9(14)7-10(12)15/h2-7,17H,16H2,1H3
InChIKeyZSPSARZVLRSIBQ-UHFFFAOYSA-N
XLogP3.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878
2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 43258819
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide (CID 43258932) is 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(N)c1.
What is the InChIKey of 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is ZSPSARZVLRSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-8-2-5-13(11(16)6-8)20(18,19)17-12-4-3-9(14)7-10(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide?
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43258932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).