N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide

C10H16ClN3O2S — CID 66004609

IUPACN-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC2CC(Cl)C2)[nH]1
InChIInChI=1S/C10H16ClN3O2S/c1-2-9-12-6-10(14-9)17(15,16)13-5-7-3-8(11)4-7/h6-8,13H,2-5H2,1H3,(H,12,14)
InChIKeyPRNHUCHQIHAQLJ-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.27
Rot. Bonds5

About N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide

N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 66004609) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID66004609
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC2CC(Cl)C2)[nH]1
InChIInChI=1S/C10H16ClN3O2S/c1-2-9-12-6-10(14-9)17(15,16)13-5-7-3-8(11)4-7/h6-8,13H,2-5H2,1H3,(H,12,14)
InChIKeyPRNHUCHQIHAQLJ-UHFFFAOYSA-N
XLogP1.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.27
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-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66005194
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955854
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053
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-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide (CID 66004609) is N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCC2CC(Cl)C2)[nH]1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is PRNHUCHQIHAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-2-9-12-6-10(14-9)17(15,16)13-5-7-3-8(11)4-7/h6-8,13H,2-5H2,1H3,(H,12,14).
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 66004609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).