5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide

C12H14BrN3O3S — CID 82914576

IUPAC5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1OCCn1ccnc1
InChIInChI=1S/C12H14BrN3O3S/c1-9-6-10(13)7-11(20(14,17)18)12(9)19-5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3,(H2,14,17,18)
InChIKeyHHJGYCYIYDEEMC-UHFFFAOYSA-N
MW360.23 g/mol
LogP1.68
Rot. Bonds5

About 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide

5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide (PubChem CID 82914576) has the molecular formula C12H14BrN3O3S and a molecular weight of 360.23 g/mol. Its IUPAC name is 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide
PubChem CID82914576
Molecular FormulaC12H14BrN3O3S
Molecular Weight360.23 g/mol
Exact Mass358.99
IUPAC Name5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1OCCn1ccnc1
InChIInChI=1S/C12H14BrN3O3S/c1-9-6-10(13)7-11(20(14,17)18)12(9)19-5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3,(H2,14,17,18)
InChIKeyHHJGYCYIYDEEMC-UHFFFAOYSA-N
XLogP1.68
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide 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-bromo-2-(3-imidazol-1-ylpropoxy)-3-methylaniline
CID 79842991
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonamide
CID 82914402
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
5-(4-bromo-2-methyl-6-sulfamoylphenoxy)pentanoic acid
CID 63214399
5-bromo-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 63214533
4-(2-imidazol-1-ylethoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909719
5-bromo-2-but-2-ynoxy-3-methylbenzenesulfonamide
CID 82914496
1-[3,5-dibromo-4-(2-imidazol-1-ylethoxy)phenyl]butan-2-amine
CID 107740010
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide (CID 82914576) is 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide is Cc1cc(Br)cc(S(N)(=O)=O)c1OCCn1ccnc1.
What is the InChIKey of 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide?
The InChIKey is HHJGYCYIYDEEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S/c1-9-6-10(13)7-11(20(14,17)18)12(9)19-5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3,(H2,14,17,18).
What are the key properties of 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide?
5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide has a molecular weight of 360.23 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 82914576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).