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

C14H18BrN3O2S — CID 114295509

IUPACN-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(Br)c2ccccc2)nc1C
InChIInChI=1S/C14H18BrN3O2S/c1-3-18-10-14(17-11(18)2)21(19,20)16-9-13(15)12-7-5-4-6-8-12/h4-8,10,13,16H,3,9H2,1-2H3
InChIKeyQBNLUEFLPLUYMF-UHFFFAOYSA-N
MW372.29 g/mol
LogP2.63
Rot. Bonds6

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

N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 114295509) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID114295509
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC NameN-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(Br)c2ccccc2)nc1C
InChIInChI=1S/C14H18BrN3O2S/c1-3-18-10-14(17-11(18)2)21(19,20)16-9-13(15)12-7-5-4-6-8-12/h4-8,10,13,16H,3,9H2,1-2H3
InChIKeyQBNLUEFLPLUYMF-UHFFFAOYSA-N
XLogP2.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-bromo-2-phenylethyl)-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

Related Compounds

N-(2-bromo-2-phenylethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 114295516
1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide
CID 97252609
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64539580
N-(2-chloro-2-phenylethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 65033120
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 83179208
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 114295509) is N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(Br)c2ccccc2)nc1C.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is QBNLUEFLPLUYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-3-18-10-14(17-11(18)2)21(19,20)16-9-13(15)12-7-5-4-6-8-12/h4-8,10,13,16H,3,9H2,1-2H3.
What are the key properties of N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 372.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 114295509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).