N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide

C10H18BrN3O3S — CID 106245580

IUPACN-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCC(Br)COC)[nH]1
InChIInChI=1S/C10H18BrN3O3S/c1-3-9-12-6-10(14-9)18(15,16)13-5-4-8(11)7-17-2/h6,8,13H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyKPLYELWBYCBLJT-UHFFFAOYSA-N
MW340.24 g/mol
LogP1.05
Rot. Bonds8

About N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 106245580) has the molecular formula C10H18BrN3O3S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID106245580
Molecular FormulaC10H18BrN3O3S
Molecular Weight340.24 g/mol
Exact Mass339.03
IUPAC NameN-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCC(Br)COC)[nH]1
InChIInChI=1S/C10H18BrN3O3S/c1-3-9-12-6-10(14-9)18(15,16)13-5-4-8(11)7-17-2/h6,8,13H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyKPLYELWBYCBLJT-UHFFFAOYSA-N
XLogP1.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
CID 114265073
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
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
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
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

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 106245580) is N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCCC(Br)COC)[nH]1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is KPLYELWBYCBLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O3S/c1-3-9-12-6-10(14-9)18(15,16)13-5-4-8(11)7-17-2/h6,8,13H,3-5,7H2,1-2H3,(H,12,14).
What are the key properties of N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 340.24 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106245580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).