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

C20H14F3N3O7S — CID 164938650

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H14F3N3O7S/c21-20(22,23)33-11-2-1-3-12(9-11)34(31,32)25-10-4-5-13-14(8-10)19(30)26(18(13)29)15-6-7-16(27)24-17(15)28/h1-5,8-9,15,25H,6-7H2,(H,24,27,28)
InChIKeyITYXEJVELHAHBC-UHFFFAOYSA-N
MW497.41 g/mol
LogP1.79
Rot. Bonds5

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

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164938650) 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]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID164938650
Molecular FormulaC20H14F3N3O7S
Molecular Weight497.41 g/mol
Exact Mass497.05
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H14F3N3O7S/c21-20(22,23)33-11-2-1-3-12(9-11)34(31,32)25-10-4-5-13-14(8-10)19(30)26(18(13)29)15-6-7-16(27)24-17(15)28/h1-5,8-9,15,25H,6-7H2,(H,24,27,28)
InChIKeyITYXEJVELHAHBC-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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Related Compounds

N-(2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 155925914
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 166630141
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 166632365
N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide
CID 2542429
N-[1,3-dioxo-2-(2-phenoxyethyl)isoindol-5-yl]-4-methylbenzenesulfonamide
CID 71579618
3-[3-oxo-6-[(2-propoxyphenyl)methylsulfamoylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177644662
3-[6-[[3-(2-methoxyphenyl)-3-methylpentyl]sulfamoylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177653951
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethoxy)benzamide
CID 178347175
N-(1,3-dioxoisoindolin-5-yl)-1-((4-methoxyphenyl)sulfonyl)piperidine-4-carboxamide
CID 41833993
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-(trifluoromethoxy)benzamide
CID 178347173
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-(trifluoromethoxy)benzamide
CID 178347174
N-[2-[(3-isocyanophenyl)methyl]-1,3-dioxoisoindol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140762027

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide (CID 164938650) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide is O=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ITYXEJVELHAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O7S/c21-20(22,23)33-11-2-1-3-12(9-11)34(31,32)25-10-4-5-13-14(8-10)19(30)26(18(13)29)15-6-7-16(27)24-17(15)28/h1-5,8-9,15,25H,6-7H2,(H,24,27,28).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-(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]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164938650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).