2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C13H10F3N3O3S — CID 977456

IUPAC2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(F)(F)F
InChIInChI=1S/C13H10F3N3O3S/c14-13(15,16)12(20)18-9-4-6-10(7-5-9)23(21,22)19-11-3-1-2-8-17-11/h1-8H,(H,17,19)(H,18,20)
InChIKeyIMHHCQAGGTXADS-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.38
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 977456) has the molecular formula C13H10F3N3O3S and a molecular weight of 345.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID977456
Molecular FormulaC13H10F3N3O3S
Molecular Weight345.30 g/mol
Exact Mass345.04
IUPAC Name2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(F)(F)F
InChIInChI=1S/C13H10F3N3O3S/c14-13(15,16)12(20)18-9-4-6-10(7-5-9)23(21,22)19-11-3-1-2-8-17-11/h1-8H,(H,17,19)(H,18,20)
InChIKeyIMHHCQAGGTXADS-UHFFFAOYSA-N
XLogP2.38
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 977456) is 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is IMHHCQAGGTXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3S/c14-13(15,16)12(20)18-9-4-6-10(7-5-9)23(21,22)19-11-3-1-2-8-17-11/h1-8H,(H,17,19)(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 345.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 977456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).