(2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

C21H19FN2O6S — CID 146089664

IUPAC(2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)OC2CCC(=O)NC2=O)c1
InChIInChI=1S/C21H19FN2O6S/c1-12-10-13-4-2-3-5-17(13)24(12)31(28,29)14-6-7-16(22)15(11-14)21(27)30-18-8-9-19(25)23-20(18)26/h2-7,11-12,18H,8-10H2,1H3,(H,23,25,26)
InChIKeyDLZBGMMPBADURT-UHFFFAOYSA-N
MW446.46 g/mol
LogP1.93
Rot. Bonds4

About (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

(2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (PubChem CID 146089664) has the molecular formula C21H19FN2O6S and a molecular weight of 446.46 g/mol. Its IUPAC name is (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.

Molecular Properties

Compound Name(2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
PubChem CID146089664
Molecular FormulaC21H19FN2O6S
Molecular Weight446.46 g/mol
Exact Mass446.09
IUPAC Name(2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)OC2CCC(=O)NC2=O)c1
InChIInChI=1S/C21H19FN2O6S/c1-12-10-13-4-2-3-5-17(13)24(12)31(28,29)14-6-7-16(22)15(11-14)21(27)30-18-8-9-19(25)23-20(18)26/h2-7,11-12,18H,8-10H2,1H3,(H,23,25,26)
InChIKeyDLZBGMMPBADURT-UHFFFAOYSA-N
XLogP1.93
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The IUPAC name of (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (CID 146089664) is (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.
What is the SMILES notation for (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The canonical SMILES for (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)OC2CCC(=O)NC2=O)c1.
What is the InChIKey of (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The InChIKey is DLZBGMMPBADURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O6S/c1-12-10-13-4-2-3-5-17(13)24(12)31(28,29)14-6-7-16(22)15(11-14)21(27)30-18-8-9-19(25)23-20(18)26/h2-7,11-12,18H,8-10H2,1H3,(H,23,25,26).
What are the key properties of (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
(2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate has a molecular weight of 446.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioxopiperidin-3-yl) 2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is sourced from PubChem (CID 146089664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).