N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide

C14H15BrN2O2S — CID 43458478

IUPACN-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-17(10-11-6-2-4-8-13(11)16)20(18,19)14-9-5-3-7-12(14)15/h2-9H,10,16H2,1H3
InChIKeyGSNXTUSRBKFZKI-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.85
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide

N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide (PubChem CID 43458478) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
PubChem CID43458478
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-17(10-11-6-2-4-8-13(11)16)20(18,19)14-9-5-3-7-12(14)15/h2-9H,10,16H2,1H3
InChIKeyGSNXTUSRBKFZKI-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
CID 43458468
N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
CID 43458476
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 47015119
2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
CID 30142898
N-[(2-aminophenyl)methyl]-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099506
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide (CID 43458478) is N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide is CN(Cc1ccccc1N)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide?
The InChIKey is GSNXTUSRBKFZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-17(10-11-6-2-4-8-13(11)16)20(18,19)14-9-5-3-7-12(14)15/h2-9H,10,16H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide?
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 43458478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).