2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide

C13H12BrClN2O2S — CID 43258121

IUPAC2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2N)cc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-8-2-4-10(7-11(8)15)17-20(18,19)13-5-3-9(14)6-12(13)16/h2-7,17H,16H2,1H3
InChIKeyGBFGANAIZSBLQP-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide

2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide (PubChem CID 43258121) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
PubChem CID43258121
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC Name2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2N)cc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-8-2-4-10(7-11(8)15)17-20(18,19)13-5-3-9(14)6-12(13)16/h2-7,17H,16H2,1H3
InChIKeyGBFGANAIZSBLQP-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

3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 43258379
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide (CID 43258121) is 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2N)cc1Cl.
What is the InChIKey of 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide?
The InChIKey is GBFGANAIZSBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-8-2-4-10(7-11(8)15)17-20(18,19)13-5-3-9(14)6-12(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide?
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide 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-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43258121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).