4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one

C12H15FN2O3S — CID 18445247

IUPAC4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one
SMILESNC1CCCN(S(=O)(=O)c2ccccc2F)CC1=O
InChIInChI=1S/C12H15FN2O3S/c13-9-4-1-2-6-12(9)19(17,18)15-7-3-5-10(14)11(16)8-15/h1-2,4,6,10H,3,5,7-8,14H2
InChIKeyVEQDZEQWMFFVEY-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.51
Rot. Bonds2

About 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one

4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one (PubChem CID 18445247) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one.

Molecular Properties

Compound Name4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one
PubChem CID18445247
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one
SMILESNC1CCCN(S(=O)(=O)c2ccccc2F)CC1=O
InChIInChI=1S/C12H15FN2O3S/c13-9-4-1-2-6-12(9)19(17,18)15-7-3-5-10(14)11(16)8-15/h1-2,4,6,10H,3,5,7-8,14H2
InChIKeyVEQDZEQWMFFVEY-UHFFFAOYSA-N
XLogP0.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one?
The IUPAC name of 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one (CID 18445247) is 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one.
What is the SMILES notation for 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one?
The canonical SMILES for 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one is NC1CCCN(S(=O)(=O)c2ccccc2F)CC1=O.
What is the InChIKey of 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one?
The InChIKey is VEQDZEQWMFFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-9-4-1-2-6-12(9)19(17,18)15-7-3-5-10(14)11(16)8-15/h1-2,4,6,10H,3,5,7-8,14H2.
What are the key properties of 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one?
4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one has a molecular weight of 286.33 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluorophenyl)sulfonylazepan-3-one is sourced from PubChem (CID 18445247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).