N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide

C13H13BrN2O3S — CID 43605604

IUPACN-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C13H13BrN2O3S/c1-19-12-7-6-9(14)8-13(12)20(17,18)16-11-5-3-2-4-10(11)15/h2-8,16H,15H2,1H3
InChIKeyPTMZSRHQCNMRJV-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.84
Rot. Bonds4

About N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide

N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide (PubChem CID 43605604) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
PubChem CID43605604
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC NameN-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C13H13BrN2O3S/c1-19-12-7-6-9(14)8-13(12)20(17,18)16-11-5-3-2-4-10(11)15/h2-8,16H,15H2,1H3
InChIKeyPTMZSRHQCNMRJV-UHFFFAOYSA-N
XLogP2.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823907
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide (CID 43605604) is N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide?
The InChIKey is PTMZSRHQCNMRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-19-12-7-6-9(14)8-13(12)20(17,18)16-11-5-3-2-4-10(11)15/h2-8,16H,15H2,1H3.
What are the key properties of N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide?
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43605604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).