N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide

C20H14F3N3O7S — CID 166630141

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H14F3N3O7S/c21-20(22,23)33-11-2-4-12(5-3-11)34(31,32)25-10-1-6-13-14(9-10)19(30)26(18(13)29)15-7-8-16(27)24-17(15)28/h1-6,9,15,25H,7-8H2,(H,24,27,28)
InChIKeyQJVKGYZEXZRQEQ-UHFFFAOYSA-N
MW497.41 g/mol
LogP1.79
Rot. Bonds5

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 166630141) has the molecular formula C20H14F3N3O7S and a molecular weight of 497.41 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID166630141
Molecular FormulaC20H14F3N3O7S
Molecular Weight497.41 g/mol
Exact Mass497.05
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H14F3N3O7S/c21-20(22,23)33-11-2-4-12(5-3-11)34(31,32)25-10-1-6-13-14(9-10)19(30)26(18(13)29)15-7-8-16(27)24-17(15)28/h1-6,9,15,25H,7-8H2,(H,24,27,28)
InChIKeyQJVKGYZEXZRQEQ-UHFFFAOYSA-N
XLogP1.79
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 166630141) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide is O=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QJVKGYZEXZRQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O7S/c21-20(22,23)33-11-2-4-12(5-3-11)34(31,32)25-10-1-6-13-14(9-10)19(30)26(18(13)29)15-7-8-16(27)24-17(15)28/h1-6,9,15,25H,7-8H2,(H,24,27,28).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 497.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 166630141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).