N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide

C11H12BrN3O2S — CID 114296733

IUPACN-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(CBr)cc2)c1
InChIInChI=1S/C11H12BrN3O2S/c1-15-7-11(13-8-15)18(16,17)14-10-4-2-9(6-12)3-5-10/h2-5,7-8,14H,6H2,1H3
InChIKeyHGWGHHMZGVWOML-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.12
Rot. Bonds4

About N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide

N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 114296733) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID114296733
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(CBr)cc2)c1
InChIInChI=1S/C11H12BrN3O2S/c1-15-7-11(13-8-15)18(16,17)14-10-4-2-9(6-12)3-5-10/h2-5,7-8,14H,6H2,1H3
InChIKeyHGWGHHMZGVWOML-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(bromomethyl)phenyl]-1-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-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 153363584
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375102
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305
N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 103580445
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 20958647
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62373444

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide (CID 114296733) is N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(CBr)cc2)c1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is HGWGHHMZGVWOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-15-7-11(13-8-15)18(16,17)14-10-4-2-9(6-12)3-5-10/h2-5,7-8,14H,6H2,1H3.
What are the key properties of N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 114296733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).