N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide

C13H20BrN3O2S — CID 104814631

IUPACN-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)N2CCCC(C)C2)cc1N
InChIInChI=1S/C13H20BrN3O2S/c1-9-4-3-5-17(8-9)20(18,19)16-13-7-12(15)10(2)6-11(13)14/h6-7,9,16H,3-5,8,15H2,1-2H3
InChIKeyCUSLOHXEEBDEOO-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.73
Rot. Bonds3

About N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide

N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 104814631) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
PubChem CID104814631
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)N2CCCC(C)C2)cc1N
InChIInChI=1S/C13H20BrN3O2S/c1-9-4-3-5-17(8-9)20(18,19)16-13-7-12(15)10(2)6-11(13)14/h6-7,9,16H,3-5,8,15H2,1-2H3
InChIKeyCUSLOHXEEBDEOO-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-(5-amino-2-bromo-4-methylphenyl)-3-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-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
CID 107802306
N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 114259631
N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
CID 104814646
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide (CID 104814631) is N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)N2CCCC(C)C2)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is CUSLOHXEEBDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-9-4-3-5-17(8-9)20(18,19)16-13-7-12(15)10(2)6-11(13)14/h6-7,9,16H,3-5,8,15H2,1-2H3.
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide?
N-(5-amino-2-bromo-4-methylphenyl)-3-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-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104814631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).