N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide

C11H18BrN3O2S — CID 114179797

IUPACN-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2CCCCC2CBr)[nH]1
InChIInChI=1S/C11H18BrN3O2S/c1-8-13-7-11(14-8)18(16,17)15-10-5-3-2-4-9(10)6-12/h7,9-10,15H,2-6H2,1H3,(H,13,14)
InChIKeyQHDGFQAKMOLZTJ-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 114179797) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID114179797
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2CCCCC2CBr)[nH]1
InChIInChI=1S/C11H18BrN3O2S/c1-8-13-7-11(14-8)18(16,17)15-10-5-3-2-4-9(10)6-12/h7,9-10,15H,2-6H2,1H3,(H,13,14)
InChIKeyQHDGFQAKMOLZTJ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323
2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 103908449
N-[2-(bromomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106367741
N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106367494
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80675568
N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106367456
N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 102609491
N-[2-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 114179797) is N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC2CCCCC2CBr)[nH]1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is QHDGFQAKMOLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-8-13-7-11(14-8)18(16,17)15-10-5-3-2-4-9(10)6-12/h7,9-10,15H,2-6H2,1H3,(H,13,14).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 336.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114179797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).