2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

C15H16FN3O3S — CID 21156621

IUPAC2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)Cc1ccccc1F)NCc1cccnc1
InChIInChI=1S/C15H16FN3O3S/c16-14-6-2-1-5-13(14)11-23(21,22)19-10-15(20)18-9-12-4-3-7-17-8-12/h1-8,19H,9-11H2,(H,18,20)
InChIKeyZYMJJQLCWYQQAQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.96
Rot. Bonds7

About 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 21156621) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID21156621
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)Cc1ccccc1F)NCc1cccnc1
InChIInChI=1S/C15H16FN3O3S/c16-14-6-2-1-5-13(14)11-23(21,22)19-10-15(20)18-9-12-4-3-7-17-8-12/h1-8,19H,9-11H2,(H,18,20)
InChIKeyZYMJJQLCWYQQAQ-UHFFFAOYSA-N
XLogP0.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 22300495
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299839
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 21156621) is 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is O=C(CNS(=O)(=O)Cc1ccccc1F)NCc1cccnc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZYMJJQLCWYQQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-14-6-2-1-5-13(14)11-23(21,22)19-10-15(20)18-9-12-4-3-7-17-8-12/h1-8,19H,9-11H2,(H,18,20).
What are the key properties of 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 21156621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).