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

C9H14ClN3O2S — CID 66004178

IUPACN-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CC(Cl)C2)[nH]1
InChIInChI=1S/C9H14ClN3O2S/c1-6-11-5-9(13-6)16(14,15)12-4-7-2-8(10)3-7/h5,7-8,12H,2-4H2,1H3,(H,11,13)
InChIKeyQQCZMJDCDGYXGO-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.01
Rot. Bonds4

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

N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 66004178) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID66004178
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CC(Cl)C2)[nH]1
InChIInChI=1S/C9H14ClN3O2S/c1-6-11-5-9(13-6)16(14,15)12-4-7-2-8(10)3-7/h5,7-8,12H,2-4H2,1H3,(H,11,13)
InChIKeyQQCZMJDCDGYXGO-UHFFFAOYSA-N
XLogP1.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.01
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-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66004609
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955867
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415967
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323
N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66005194
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908329
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 66004178) is N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CC(Cl)C2)[nH]1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is QQCZMJDCDGYXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-6-11-5-9(13-6)16(14,15)12-4-7-2-8(10)3-7/h5,7-8,12H,2-4H2,1H3,(H,11,13).
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.01, 4 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-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 66004178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).