5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide

C10H15BrN2O2S — CID 62658357

IUPAC5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C10H15BrN2O2S/c1-8-3-4-9(11)7-10(8)16(14,15)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyPUKPEUFDUQZBBQ-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.26
Rot. Bonds5

About 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide

5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 62658357) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID62658357
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C10H15BrN2O2S/c1-8-3-4-9(11)7-10(8)16(14,15)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyPUKPEUFDUQZBBQ-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide 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

5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 62045684
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 62658357) is 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is PUKPEUFDUQZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-8-3-4-9(11)7-10(8)16(14,15)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 307.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62658357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).