N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide

C7H12BrN3O2S — CID 114298250

IUPACN-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCBr)[nH]1
InChIInChI=1S/C7H12BrN3O2S/c1-2-6-9-5-7(11-6)14(12,13)10-4-3-8/h5,10H,2-4H2,1H3,(H,9,11)
InChIKeyQBWUXWIHIQLVNZ-UHFFFAOYSA-N
MW282.16 g/mol
LogP0.65
Rot. Bonds5

About N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 114298250) has the molecular formula C7H12BrN3O2S and a molecular weight of 282.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID114298250
Molecular FormulaC7H12BrN3O2S
Molecular Weight282.16 g/mol
Exact Mass280.98
IUPAC NameN-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCBr)[nH]1
InChIInChI=1S/C7H12BrN3O2S/c1-2-6-9-5-7(11-6)14(12,13)10-4-3-8/h5,10H,2-4H2,1H3,(H,9,11)
InChIKeyQBWUXWIHIQLVNZ-UHFFFAOYSA-N
XLogP0.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 50.65
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

2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106245580
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
CID 114265073
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide
CID 106306704
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 114298250) is N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCCBr)[nH]1.
What is the InChIKey of N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is QBWUXWIHIQLVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O2S/c1-2-6-9-5-7(11-6)14(12,13)10-4-3-8/h5,10H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 282.16 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114298250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).