3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide

C16H17FN2O3S — CID 5079880

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1cccnc1
InChIInChI=1S/C16H17FN2O3S/c17-15-6-2-1-5-14(15)12-23(21,22)9-7-16(20)19-11-13-4-3-8-18-10-13/h1-6,8,10H,7,9,11-12H2,(H,19,20)
InChIKeyHYBWJANJRYFZJC-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.84
Rot. Bonds7

About 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 5079880) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID5079880
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1cccnc1
InChIInChI=1S/C16H17FN2O3S/c17-15-6-2-1-5-14(15)12-23(21,22)9-7-16(20)19-11-13-4-3-8-18-10-13/h1-6,8,10H,7,9,11-12H2,(H,19,20)
InChIKeyHYBWJANJRYFZJC-UHFFFAOYSA-N
XLogP1.84
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide (CID 5079880) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCc1cccnc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HYBWJANJRYFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-15-6-2-1-5-14(15)12-23(21,22)9-7-16(20)19-11-13-4-3-8-18-10-13/h1-6,8,10H,7,9,11-12H2,(H,19,20).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 5079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).