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

C12H20BrN3O2S — CID 113271323

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCC2CBr)[nH]1
InChIInChI=1S/C12H20BrN3O2S/c1-9-14-8-12(16-9)19(17,18)15-7-11-5-3-2-4-10(11)6-13/h8,10-11,15H,2-7H2,1H3,(H,14,16)
InChIKeyYJXQSWIHOCNHSP-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.20
Rot. Bonds5

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

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 113271323) has the molecular formula C12H20BrN3O2S and a molecular weight of 350.28 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID113271323
Molecular FormulaC12H20BrN3O2S
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCC2CBr)[nH]1
InChIInChI=1S/C12H20BrN3O2S/c1-9-14-8-12(16-9)19(17,18)15-7-11-5-3-2-4-10(11)6-13/h8,10-11,15H,2-7H2,1H3,(H,14,16)
InChIKeyYJXQSWIHOCNHSP-UHFFFAOYSA-N
XLogP2.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.20
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]-2-methyl-1H-imidazole-5-sulfonamide
CID 114179797
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114295432
2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955867
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
N-[[2-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 114295398
2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 103908449
2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80675568
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
CID 114295411
N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908553

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 113271323) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CCCCC2CBr)[nH]1.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is YJXQSWIHOCNHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2S/c1-9-14-8-12(16-9)19(17,18)15-7-11-5-3-2-4-10(11)6-13/h8,10-11,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113271323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).