N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide

C11H18BrN3O2S — CID 114293943

IUPACN-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide
SMILESCC1CCCC(CBr)(NS(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C11H18BrN3O2S/c1-9-3-2-4-11(5-9,7-12)15-18(16,17)10-6-13-8-14-10/h6,8-9,15H,2-5,7H2,1H3,(H,13,14)
InChIKeyPOWQUEJFVAFBGU-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.03
Rot. Bonds4

About N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide

N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide (PubChem CID 114293943) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide
PubChem CID114293943
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC NameN-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide
SMILESCC1CCCC(CBr)(NS(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C11H18BrN3O2S/c1-9-3-2-4-11(5-9,7-12)15-18(16,17)10-6-13-8-14-10/h6,8-9,15H,2-5,7H2,1H3,(H,13,14)
InChIKeyPOWQUEJFVAFBGU-UHFFFAOYSA-N
XLogP2.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-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-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide
CID 115673541
N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 114293912
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,4-difluorobenzenesulfonamide
CID 114293927
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-ethylimidazole-4-sulfonamide
CID 114293922
N-[1-(bromomethyl)-3-methylcyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293939
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400688
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 114293958
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120726672
N-[1-(chloromethyl)-3-methylcyclohexyl]-1-methylpyrazole-4-sulfonamide
CID 65032368
N-(2,3-dimethylcyclopentyl)-1H-imidazole-5-sulfonamide
CID 64923633

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide (CID 114293943) is N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide is CC1CCCC(CBr)(NS(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide?
The InChIKey is POWQUEJFVAFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-9-3-2-4-11(5-9,7-12)15-18(16,17)10-6-13-8-14-10/h6,8-9,15H,2-5,7H2,1H3,(H,13,14).
What are the key properties of N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide?
N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide has a molecular weight of 336.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114293943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).