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

C16H20FN3O2S — CID 139011151

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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Related Compounds

1-(4''-fluorobiphenyl-4-ylsulfonyl)-4-(1H-imidazol-2-yl)piperidine
CID 44565608
1-(biphenyl-4-ylsulfonyl)-4-(1H-imidazol-2-yl)piperidine
CID 44565847
4-((1H-imidazol-2-yl)methyl)-1-(biphenyl-4-ylsulfonyl)piperidine
CID 44565848
N-[2-(3-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3236770
N-[2-(4-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3238138
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,1-dimethyl-1H-imidazole-4-sulfonamide
CID 53324142
US9656955, Example 734
CID 90404136
US9656955, Example 732
CID 90404278
US9656955, Example 386
CID 90405358
US9656955, Example 426
CID 90405558
US9656955, Example 554
CID 90405706
US9656955, Example 733
CID 90406075

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).