N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C12H13BrClN3O2S — CID 81273250

IUPACN-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)nc1C
InChIInChI=1S/C12H13BrClN3O2S/c1-3-17-7-12(15-8(17)2)20(18,19)16-11-5-4-9(14)6-10(11)13/h4-7,16H,3H2,1-2H3
InChIKeyRVVNWELVFFLXDF-UHFFFAOYSA-N
MW378.68 g/mol
LogP3.43
Rot. Bonds4

About N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 81273250) has the molecular formula C12H13BrClN3O2S and a molecular weight of 378.68 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID81273250
Molecular FormulaC12H13BrClN3O2S
Molecular Weight378.68 g/mol
Exact Mass376.96
IUPAC NameN-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)nc1C
InChIInChI=1S/C12H13BrClN3O2S/c1-3-17-7-12(15-8(17)2)20(18,19)16-11-5-4-9(14)6-10(11)13/h4-7,16H,3H2,1-2H3
InChIKeyRVVNWELVFFLXDF-UHFFFAOYSA-N
XLogP3.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.68
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide 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 N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 81273250) is N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)nc1C.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is RVVNWELVFFLXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O2S/c1-3-17-7-12(15-8(17)2)20(18,19)16-11-5-4-9(14)6-10(11)13/h4-7,16H,3H2,1-2H3.
What are the key properties of N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 378.68 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 81273250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).