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

C12H22BrN3O2S — CID 106288635

IUPACN-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC(Br)C(CC)CC)[nH]1
InChIInChI=1S/C12H22BrN3O2S/c1-4-9(5-2)10(13)7-15-19(17,18)12-8-14-11(6-3)16-12/h8-10,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyYGQMPMRHLLAWRW-UHFFFAOYSA-N
MW352.30 g/mol
LogP2.45
Rot. Bonds8

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

N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 106288635) has the molecular formula C12H22BrN3O2S and a molecular weight of 352.30 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID106288635
Molecular FormulaC12H22BrN3O2S
Molecular Weight352.30 g/mol
Exact Mass351.06
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC(Br)C(CC)CC)[nH]1
InChIInChI=1S/C12H22BrN3O2S/c1-4-9(5-2)10(13)7-15-19(17,18)12-8-14-11(6-3)16-12/h8-10,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyYGQMPMRHLLAWRW-UHFFFAOYSA-N
XLogP2.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 52.45
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-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
N-(2-cyclopropylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 113476004
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106245580
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 106288635) is N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCC(Br)C(CC)CC)[nH]1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is YGQMPMRHLLAWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3O2S/c1-4-9(5-2)10(13)7-15-19(17,18)12-8-14-11(6-3)16-12/h8-10,15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 352.30 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106288635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).