N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide

C14H8F3N3O4S — CID 169095283

IUPACN-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C14H8F3N3O4S/c1-6(21)20-25(23,24)7-2-3-8-9(4-7)12(22)11-10(8)5-18-13(19-11)14(15,16)17/h2-5H,1H3,(H,20,21)
InChIKeyPJKVYXRQZBMSEL-UHFFFAOYSA-N
MW371.30 g/mol
LogP1.53
Rot. Bonds2

About N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide

N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide (PubChem CID 169095283) has the molecular formula C14H8F3N3O4S and a molecular weight of 371.30 g/mol. Its IUPAC name is N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide
PubChem CID169095283
Molecular FormulaC14H8F3N3O4S
Molecular Weight371.30 g/mol
Exact Mass371.02
IUPAC NameN-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C14H8F3N3O4S/c1-6(21)20-25(23,24)7-2-3-8-9(4-7)12(22)11-10(8)5-18-13(19-11)14(15,16)17/h2-5H,1H3,(H,20,21)
InChIKeyPJKVYXRQZBMSEL-UHFFFAOYSA-N
XLogP1.53
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide?
The IUPAC name of N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide (CID 169095283) is N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide.
What is the SMILES notation for N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide?
The canonical SMILES for N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2.
What is the InChIKey of N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide?
The InChIKey is PJKVYXRQZBMSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O4S/c1-6(21)20-25(23,24)7-2-3-8-9(4-7)12(22)11-10(8)5-18-13(19-11)14(15,16)17/h2-5H,1H3,(H,20,21).
What are the key properties of N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide?
N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide has a molecular weight of 371.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-7-yl]sulfonylacetamide is sourced from PubChem (CID 169095283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).