2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide

C20H22N4O4S — CID 66624402

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H22N4O4S/c25-19-17-3-1-2-4-18(17)20(26)24(19)13-14-29(27,28)22-15-7-11-23(12-8-15)16-5-9-21-10-6-16/h1-6,9-10,15,22H,7-8,11-14H2
InChIKeyIOVRHHLQISVSOS-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.27
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide (PubChem CID 66624402) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
PubChem CID66624402
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H22N4O4S/c25-19-17-3-1-2-4-18(17)20(26)24(19)13-14-29(27,28)22-15-7-11-23(12-8-15)16-5-9-21-10-6-16/h1-6,9-10,15,22H,7-8,11-14H2
InChIKeyIOVRHHLQISVSOS-UHFFFAOYSA-N
XLogP1.27
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.27
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-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide (CID 66624402) is 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is IOVRHHLQISVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c25-19-17-3-1-2-4-18(17)20(26)24(19)13-14-29(27,28)22-15-7-11-23(12-8-15)16-5-9-21-10-6-16/h1-6,9-10,15,22H,7-8,11-14H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 414.49 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 66624402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).