N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide

C16H15F2NO3S — CID 17420018

IUPACN-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1F)NCc1ccccc1F
InChIInChI=1S/C16H15F2NO3S/c17-13-6-2-1-5-12(13)11-19-16(20)9-10-23(21,22)15-8-4-3-7-14(15)18/h1-8H,9-11H2,(H,19,20)
InChIKeyGEUWJEIDXQUJMC-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.44
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide

N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide (PubChem CID 17420018) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
PubChem CID17420018
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1F)NCc1ccccc1F
InChIInChI=1S/C16H15F2NO3S/c17-13-6-2-1-5-12(13)11-19-16(20)9-10-23(21,22)15-8-4-3-7-14(15)18/h1-8H,9-11H2,(H,19,20)
InChIKeyGEUWJEIDXQUJMC-UHFFFAOYSA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
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3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide (CID 17420018) is N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccccc1F)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide?
The InChIKey is GEUWJEIDXQUJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-13-6-2-1-5-12(13)11-19-16(20)9-10-23(21,22)15-8-4-3-7-14(15)18/h1-8H,9-11H2,(H,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide?
N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide has a molecular weight of 339.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 17420018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).