N-(3-bromobutyl)-1H-imidazole-5-sulfonamide

C7H12BrN3O2S — CID 114297759

IUPACN-(3-bromobutyl)-1H-imidazole-5-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H12BrN3O2S/c1-6(8)2-3-11-14(12,13)7-4-9-5-10-7/h4-6,11H,2-3H2,1H3,(H,9,10)
InChIKeyABLDMBLRGABTRN-UHFFFAOYSA-N
MW282.16 g/mol
LogP0.86
Rot. Bonds5

About N-(3-bromobutyl)-1H-imidazole-5-sulfonamide

N-(3-bromobutyl)-1H-imidazole-5-sulfonamide (PubChem CID 114297759) has the molecular formula C7H12BrN3O2S and a molecular weight of 282.16 g/mol. Its IUPAC name is N-(3-bromobutyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-1H-imidazole-5-sulfonamide
PubChem CID114297759
Molecular FormulaC7H12BrN3O2S
Molecular Weight282.16 g/mol
Exact Mass280.98
IUPAC NameN-(3-bromobutyl)-1H-imidazole-5-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H12BrN3O2S/c1-6(8)2-3-11-14(12,13)7-4-9-5-10-7/h4-6,11H,2-3H2,1H3,(H,9,10)
InChIKeyABLDMBLRGABTRN-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 115319829
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-bromobutyl)-1H-imidazole-5-sulfonamide (CID 114297759) is N-(3-bromobutyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromobutyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-bromobutyl)-1H-imidazole-5-sulfonamide is CC(Br)CCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-bromobutyl)-1H-imidazole-5-sulfonamide?
The InChIKey is ABLDMBLRGABTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O2S/c1-6(8)2-3-11-14(12,13)7-4-9-5-10-7/h4-6,11H,2-3H2,1H3,(H,9,10).
What are the key properties of N-(3-bromobutyl)-1H-imidazole-5-sulfonamide?
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide has a molecular weight of 282.16 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114297759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).