N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide

C13H20BrN3O2S — CID 116813743

IUPACN-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)N2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C13H20BrN3O2S/c1-9-3-5-17(6-4-9)20(18,19)16-13-11(14)7-10(2)8-12(13)15/h7-9,16H,3-6,15H2,1-2H3
InChIKeyUHXQPPIQZKZZLS-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.73
Rot. Bonds3

About N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide

N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 116813743) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID116813743
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)N2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C13H20BrN3O2S/c1-9-3-5-17(6-4-9)20(18,19)16-13-11(14)7-10(2)8-12(13)15/h7-9,16H,3-6,15H2,1-2H3
InChIKeyUHXQPPIQZKZZLS-UHFFFAOYSA-N
XLogP2.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-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

N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 104667663
3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide
CID 106002010
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
CID 114804993
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 55147573
N-(2-amino-6-bromo-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 116813798
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide (CID 116813743) is N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide is Cc1cc(N)c(NS(=O)(=O)N2CCC(C)CC2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is UHXQPPIQZKZZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-9-3-5-17(6-4-9)20(18,19)16-13-11(14)7-10(2)8-12(13)15/h7-9,16H,3-6,15H2,1-2H3.
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide?
N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 116813743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).