2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide

C13H20BrN3O2S — CID 83012991

IUPAC2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H20BrN3O2S/c1-9-4-3-5-10(2)17(9)16-20(18,19)13-7-6-11(14)8-12(13)15/h6-10,16H,3-5,15H2,1-2H3
InChIKeyZBVYZPCZWIQCLX-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.49
Rot. Bonds3

About 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide

2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide (PubChem CID 83012991) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
PubChem CID83012991
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H20BrN3O2S/c1-9-4-3-5-10(2)17(9)16-20(18,19)13-7-6-11(14)8-12(13)15/h6-10,16H,3-5,15H2,1-2H3
InChIKeyZBVYZPCZWIQCLX-UHFFFAOYSA-N
XLogP2.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 83003730
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 106075068
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810
5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 83026749
N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzenesulfonamide
CID 83019232
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
CID 107212161
5-bromo-2-(3,4-dimethylcyclohexyl)sulfonylaniline
CID 81184934
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide (CID 83012991) is 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide is CC1CCCC(C)N1NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is ZBVYZPCZWIQCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-9-4-3-5-10(2)17(9)16-20(18,19)13-7-6-11(14)8-12(13)15/h6-10,16H,3-5,15H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 83012991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).