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N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide

C16H20FN3O2S — CID 139011151

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)NC2CC(c3ccccc3F)C2)[nH]1
InChIInChI=1S/C16H20FN3O2S/c1-10(2)16-18-9-15(19-16)23(21,22)20-12-7-11(8-12)13-5-3-4-6-14(13)17/h3-6,9-12,20H,7-8H2,1-2H3,(H,18,19)
InChIKeyOKHWZAQIAWITTM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.90
Rot. Bonds5

About N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide

N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 139011151) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID139011151
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)NC2CC(c3ccccc3F)C2)[nH]1
InChIInChI=1S/C16H20FN3O2S/c1-10(2)16-18-9-15(19-16)23(21,22)20-12-7-11(8-12)13-5-3-4-6-14(13)17/h3-6,9-12,20H,7-8H2,1-2H3,(H,18,19)
InChIKeyOKHWZAQIAWITTM-UHFFFAOYSA-N
XLogP2.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 139011151) is N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide is CC(C)c1ncc(S(=O)(=O)NC2CC(c3ccccc3F)C2)[nH]1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is OKHWZAQIAWITTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-10(2)16-18-9-15(19-16)23(21,22)20-12-7-11(8-12)13-5-3-4-6-14(13)17/h3-6,9-12,20H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 139011151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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