5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide

C11H17BrN2O3S — CID 8716805

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C11H17BrN2O3S/c1-14(2)7-6-13-18(15,16)11-8-9(12)4-5-10(11)17-3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyCFXXVYKLHUURBO-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.30
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide

5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 8716805) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
PubChem CID8716805
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C11H17BrN2O3S/c1-14(2)7-6-13-18(15,16)11-8-9(12)4-5-10(11)17-3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyCFXXVYKLHUURBO-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide 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 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide (CID 8716805) is 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCN(C)C.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is CFXXVYKLHUURBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-14(2)7-6-13-18(15,16)11-8-9(12)4-5-10(11)17-3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 8716805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).