3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione

C19H17ClN2O4S — CID 177339735

IUPAC3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2Cl)C3)C(=O)N1
InChIInChI=1S/C19H17ClN2O4S/c20-16-3-1-2-4-17(16)27(25,26)22-10-13-6-5-12(9-14(13)11-22)15-7-8-18(23)21-19(15)24/h1-6,9,15H,7-8,10-11H2,(H,21,23,24)
InChIKeyVENOVTUNGNGQGD-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione

3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione (PubChem CID 177339735) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
PubChem CID177339735
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2Cl)C3)C(=O)N1
InChIInChI=1S/C19H17ClN2O4S/c20-16-3-1-2-4-17(16)27(25,26)22-10-13-6-5-12(9-14(13)11-22)15-7-8-18(23)21-19(15)24/h1-6,9,15H,7-8,10-11H2,(H,21,23,24)
InChIKeyVENOVTUNGNGQGD-UHFFFAOYSA-N
XLogP2.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione (CID 177339735) is 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione is O=C1CCC(c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2Cl)C3)C(=O)N1.
What is the InChIKey of 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The InChIKey is VENOVTUNGNGQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c20-16-3-1-2-4-17(16)27(25,26)22-10-13-6-5-12(9-14(13)11-22)15-7-8-18(23)21-19(15)24/h1-6,9,15H,7-8,10-11H2,(H,21,23,24).
What are the key properties of 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione has a molecular weight of 404.88 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 177339735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).