3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide

C14H15BrN2O2S — CID 106073882

IUPAC3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(CN)c2)c1Br
InChIInChI=1S/C14H15BrN2O2S/c1-10-4-2-7-13(14(10)15)17-20(18,19)12-6-3-5-11(8-12)9-16/h2-8,17H,9,16H2,1H3
InChIKeyBQOYDSQOBYNYAK-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.02
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide

3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide (PubChem CID 106073882) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
PubChem CID106073882
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(CN)c2)c1Br
InChIInChI=1S/C14H15BrN2O2S/c1-10-4-2-7-13(14(10)15)17-20(18,19)12-6-3-5-11(8-12)9-16/h2-8,17H,9,16H2,1H3
InChIKeyBQOYDSQOBYNYAK-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
CID 106070385
N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 107802273
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844
3-(aminomethyl)-N-[4-(2,6-dimethylphenyl)-6-methoxypyrimidin-2-yl]benzenesulfonamide
CID 170417979
2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171680
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide (CID 106073882) is 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(CN)c2)c1Br.
What is the InChIKey of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide?
The InChIKey is BQOYDSQOBYNYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-4-2-7-13(14(10)15)17-20(18,19)12-6-3-5-11(8-12)9-16/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide?
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106073882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).