2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

C15H16FN3O3S — CID 895512

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c1-19(23(21,22)14-6-4-13(16)5-7-14)11-15(20)18-10-12-3-2-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyIOIAVFFQRJUOAI-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.16
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 895512) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID895512
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c1-19(23(21,22)14-6-4-13(16)5-7-14)11-15(20)18-10-12-3-2-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyIOIAVFFQRJUOAI-UHFFFAOYSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 895512) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide is CN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is IOIAVFFQRJUOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-19(23(21,22)14-6-4-13(16)5-7-14)11-15(20)18-10-12-3-2-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 895512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).