N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C11H10F3N3O4S — CID 138467615

IUPACN-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C11H10F3N3O4S/c12-11(13,14)8-3-1-6(5-15-8)22(20,21)17-7-2-4-9(18)16-10(7)19/h1,3,5,7,17H,2,4H2,(H,16,18,19)
InChIKeySTXGLFHEQOKIIO-UHFFFAOYSA-N
MW337.28 g/mol
LogP0.18
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 138467615) has the molecular formula C11H10F3N3O4S and a molecular weight of 337.28 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID138467615
Molecular FormulaC11H10F3N3O4S
Molecular Weight337.28 g/mol
Exact Mass337.03
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C11H10F3N3O4S/c12-11(13,14)8-3-1-6(5-15-8)22(20,21)17-7-2-4-9(18)16-10(7)19/h1,3,5,7,17H,2,4H2,(H,16,18,19)
InChIKeySTXGLFHEQOKIIO-UHFFFAOYSA-N
XLogP0.18
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 138467615) is N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is O=C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is STXGLFHEQOKIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O4S/c12-11(13,14)8-3-1-6(5-15-8)22(20,21)17-7-2-4-9(18)16-10(7)19/h1,3,5,7,17H,2,4H2,(H,16,18,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 337.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 138467615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).