3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide

C13H19Br2N3O2S — CID 106002010

IUPAC3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)N2CCCC(CN)C2)c(Br)c1
InChIInChI=1S/C13H19Br2N3O2S/c1-9-5-11(14)13(12(15)6-9)17-21(19,20)18-4-2-3-10(7-16)8-18/h5-6,10,17H,2-4,7-8,16H2,1H3
InChIKeyZARHOBCJBQKZIL-UHFFFAOYSA-N
MW441.19 g/mol
LogP2.85
Rot. Bonds4

About 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide

3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide (PubChem CID 106002010) has the molecular formula C13H19Br2N3O2S and a molecular weight of 441.19 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide
PubChem CID106002010
Molecular FormulaC13H19Br2N3O2S
Molecular Weight441.19 g/mol
Exact Mass438.96
IUPAC Name3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)N2CCCC(CN)C2)c(Br)c1
InChIInChI=1S/C13H19Br2N3O2S/c1-9-5-11(14)13(12(15)6-9)17-21(19,20)18-4-2-3-10(7-16)8-18/h5-6,10,17H,2-4,7-8,16H2,1H3
InChIKeyZARHOBCJBQKZIL-UHFFFAOYSA-N
XLogP2.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)piperidine-1-sulfonamide
CID 106067174
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 116813743
3-(aminomethyl)-N-(2-chloro-4-fluorophenyl)piperidine-1-sulfonamide
CID 106028995
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
CID 71638340
N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089726
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
3-bromo-5-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 107583152

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide (CID 106002010) is 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)N2CCCC(CN)C2)c(Br)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is ZARHOBCJBQKZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N3O2S/c1-9-5-11(14)13(12(15)6-9)17-21(19,20)18-4-2-3-10(7-16)8-18/h5-6,10,17H,2-4,7-8,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 441.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106002010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).