3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide

C11H16BrNO3S — CID 58521994

IUPAC3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-9-4-5-10(8-11(9)12)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyIOIHCFRDSODACA-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.02
Rot. Bonds5

About 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide

3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 58521994) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide
PubChem CID58521994
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-9-4-5-10(8-11(9)12)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyIOIHCFRDSODACA-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide (CID 58521994) is 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is IOIHCFRDSODACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-9-4-5-10(8-11(9)12)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide?
3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 58521994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).