2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide

C22H19F2N3O7S — CID 169222728

IUPAC2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1OC(F)F
InChIInChI=1S/C22H19F2N3O7S/c1-2-11-4-3-5-16(18(11)34-22(23)24)35(32,33)26-12-6-7-13-14(10-12)21(31)27(20(13)30)15-8-9-17(28)25-19(15)29/h3-7,10,15,22,26H,2,8-9H2,1H3,(H,25,28,29)
InChIKeyPXSOKLASZRTKJZ-UHFFFAOYSA-N
MW507.47 g/mol
LogP2.05
Rot. Bonds7

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

2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide (PubChem CID 169222728) has the molecular formula C22H19F2N3O7S and a molecular weight of 507.47 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
PubChem CID169222728
Molecular FormulaC22H19F2N3O7S
Molecular Weight507.47 g/mol
Exact Mass507.09
IUPAC Name2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1OC(F)F
InChIInChI=1S/C22H19F2N3O7S/c1-2-11-4-3-5-16(18(11)34-22(23)24)35(32,33)26-12-6-7-13-14(10-12)21(31)27(20(13)30)15-8-9-17(28)25-19(15)29/h3-7,10,15,22,26H,2,8-9H2,1H3,(H,25,28,29)
InChIKeyPXSOKLASZRTKJZ-UHFFFAOYSA-N
XLogP2.05
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 52.05
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

2-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222741
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
CID 169222732
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 167175297
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 164938543
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide
CID 166426668
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-methyl-2-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 166985426
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethylamino]isoindole-1,3-dione
CID 155177661
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
2-(2,6-dioxopiperidin-3-yl)-5-[4-(ethylamino)phenoxy]isoindole-1,3-dione
CID 174183634

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide (CID 169222728) is 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide is CCc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide?
The InChIKey is PXSOKLASZRTKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O7S/c1-2-11-4-3-5-16(18(11)34-22(23)24)35(32,33)26-12-6-7-13-14(10-12)21(31)27(20(13)30)15-8-9-17(28)25-19(15)29/h3-7,10,15,22,26H,2,8-9H2,1H3,(H,25,28,29).
What are the key properties of 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide?
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide has a molecular weight of 507.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide is sourced from PubChem (CID 169222728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).