2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide

C20H17F2N3O6S — CID 166426668

IUPAC2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide
SMILESO=C1CCC(N2Cc3cc(NS(=O)(=O)c4ccccc4OC(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H17F2N3O6S/c21-20(22)31-15-3-1-2-4-16(15)32(29,30)24-12-5-6-13-11(9-12)10-25(19(13)28)14-7-8-17(26)23-18(14)27/h1-6,9,14,20,24H,7-8,10H2,(H,23,26,27)
InChIKeyVCTSFRAPUUMVEY-UHFFFAOYSA-N
MW465.43 g/mol
LogP1.85
Rot. Bonds6

About 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide

2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide (PubChem CID 166426668) has the molecular formula C20H17F2N3O6S and a molecular weight of 465.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide
PubChem CID166426668
Molecular FormulaC20H17F2N3O6S
Molecular Weight465.43 g/mol
Exact Mass465.08
IUPAC Name2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide
SMILESO=C1CCC(N2Cc3cc(NS(=O)(=O)c4ccccc4OC(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H17F2N3O6S/c21-20(22)31-15-3-1-2-4-16(15)32(29,30)24-12-5-6-13-11(9-12)10-25(19(13)28)14-7-8-17(26)23-18(14)27/h1-6,9,14,20,24H,7-8,10H2,(H,23,26,27)
InChIKeyVCTSFRAPUUMVEY-UHFFFAOYSA-N
XLogP1.85
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
CID 164938612
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-propan-2-yloxybenzenesulfonamide
CID 166426721
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938673
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 164938597
3-[6-(2-bromoethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167274132
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
CID 164938578
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methylpropane-1-sulfonamide
CID 167779417
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222728
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 167783597
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide
CID 166426706
3-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168899316
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]butanoic acid
CID 167462909

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide (CID 166426668) is 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide is O=C1CCC(N2Cc3cc(NS(=O)(=O)c4ccccc4OC(F)F)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide?
The InChIKey is VCTSFRAPUUMVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O6S/c21-20(22)31-15-3-1-2-4-16(15)32(29,30)24-12-5-6-13-11(9-12)10-25(19(13)28)14-7-8-17(26)23-18(14)27/h1-6,9,14,20,24H,7-8,10H2,(H,23,26,27).
What are the key properties of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide?
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide has a molecular weight of 465.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 166426668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).