5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide

C14H15BrN2O2S — CID 65206643

IUPAC5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(N)ccc2Br)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-10-3-6-12(7-4-10)17(2)20(18,19)14-9-11(16)5-8-13(14)15/h3-9H,16H2,1-2H3
InChIKeyNYXRASOWNSDTHJ-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.16
Rot. Bonds3

About 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide

5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 65206643) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID65206643
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(N)ccc2Br)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-10-3-6-12(7-4-10)17(2)20(18,19)14-9-11(16)5-8-13(14)15/h3-9H,16H2,1-2H3
InChIKeyNYXRASOWNSDTHJ-UHFFFAOYSA-N
XLogP3.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.16
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

5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 65207218
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 114625565
5-amino-2,3-difluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65020931
5-amino-2-bromo-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 65206750
5-amino-2-bromo-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 65206520
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
4-amino-N-(3,5-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002768
5-amino-2-bromo-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 65206521
N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
CID 28941589
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004233
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 65206643) is 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cc(N)ccc2Br)cc1.
What is the InChIKey of 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is NYXRASOWNSDTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-3-6-12(7-4-10)17(2)20(18,19)14-9-11(16)5-8-13(14)15/h3-9H,16H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 65206643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).