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

C12H12F3N3O4S — CID 138467508

IUPACN-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(C1CCC(=O)NC1=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H12F3N3O4S/c1-18(8-3-5-10(19)17-11(8)20)23(21,22)7-2-4-9(16-6-7)12(13,14)15/h2,4,6,8H,3,5H2,1H3,(H,17,19,20)
InChIKeyPDRVFOVFWBOMKQ-UHFFFAOYSA-N
MW351.31 g/mol
LogP0.53
Rot. Bonds3

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

N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 138467508) has the molecular formula C12H12F3N3O4S and a molecular weight of 351.31 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID138467508
Molecular FormulaC12H12F3N3O4S
Molecular Weight351.31 g/mol
Exact Mass351.05
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(C1CCC(=O)NC1=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H12F3N3O4S/c1-18(8-3-5-10(19)17-11(8)20)23(21,22)7-2-4-9(16-6-7)12(13,14)15/h2,4,6,8H,3,5H2,1H3,(H,17,19,20)
InChIKeyPDRVFOVFWBOMKQ-UHFFFAOYSA-N
XLogP0.53
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
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)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 138467508) is N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide is CN(C1CCC(=O)NC1=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is PDRVFOVFWBOMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O4S/c1-18(8-3-5-10(19)17-11(8)20)23(21,22)7-2-4-9(16-6-7)12(13,14)15/h2,4,6,8H,3,5H2,1H3,(H,17,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 351.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 138467508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).