1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide

C10H16FN3O2S — CID 138001269

IUPAC1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC2(CF)CCC2)c1
InChIInChI=1S/C10H16FN3O2S/c1-2-14-6-9(12-8-14)17(15,16)13-10(7-11)4-3-5-10/h6,8,13H,2-5,7H2,1H3
InChIKeyCPHAUPIOJSVSLY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds5

About 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide

1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide (PubChem CID 138001269) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide
PubChem CID138001269
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC2(CF)CCC2)c1
InChIInChI=1S/C10H16FN3O2S/c1-2-14-6-9(12-8-14)17(15,16)13-10(7-11)4-3-5-10/h6,8,13H,2-5,7H2,1H3
InChIKeyCPHAUPIOJSVSLY-UHFFFAOYSA-N
XLogP1.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide (CID 138001269) is 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NC2(CF)CCC2)c1.
What is the InChIKey of 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide?
The InChIKey is CPHAUPIOJSVSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-2-14-6-9(12-8-14)17(15,16)13-10(7-11)4-3-5-10/h6,8,13H,2-5,7H2,1H3.
What are the key properties of 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide?
1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide is sourced from PubChem (CID 138001269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).