N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide

C13H13BrN2O2S — CID 61297692

IUPACN-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
SMILESCN(c1cccc(N)c1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-16(12-6-3-5-11(15)9-12)19(17,18)13-7-2-4-10(14)8-13/h2-9H,15H2,1H3
InChIKeyQCKZSGPJOAAJTD-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.86
Rot. Bonds3

About N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide

N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide (PubChem CID 61297692) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
PubChem CID61297692
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
SMILESCN(c1cccc(N)c1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-16(12-6-3-5-11(15)9-12)19(17,18)13-7-2-4-10(14)8-13/h2-9H,15H2,1H3
InChIKeyQCKZSGPJOAAJTD-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.86
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-(3-aminophenyl)-4-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 116527243
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541492
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine
CID 54947671
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
bis(3-bromoaniline);sulfate
CID 20836379
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 63229538
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide (CID 61297692) is N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide is CN(c1cccc(N)c1)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide?
The InChIKey is QCKZSGPJOAAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-16(12-6-3-5-11(15)9-12)19(17,18)13-7-2-4-10(14)8-13/h2-9H,15H2,1H3.
What are the key properties of N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide?
N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 61297692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).