3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one

C24H24N4O3S — CID 5307184

IUPAC3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1
InChIInChI=1S/C24H24N4O3S/c29-24-21-9-3-2-8-20(21)23(28(24)22-10-4-5-15-25-22)26-18-11-13-19(14-12-18)32(30,31)27-16-6-1-7-17-27/h2-5,8-15,23,26H,1,6-7,16-17H2
InChIKeyPQHPJWNLJQMHGA-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one

3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one (PubChem CID 5307184) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one
PubChem CID5307184
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1
InChIInChI=1S/C24H24N4O3S/c29-24-21-9-3-2-8-20(21)23(28(24)22-10-4-5-15-25-22)26-18-11-13-19(14-12-18)32(30,31)27-16-6-1-7-17-27/h2-5,8-15,23,26H,1,6-7,16-17H2
InChIKeyPQHPJWNLJQMHGA-UHFFFAOYSA-N
XLogP4.03
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one (CID 5307184) is 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one is O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one?
The InChIKey is PQHPJWNLJQMHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-24-21-9-3-2-8-20(21)23(28(24)22-10-4-5-15-25-22)26-18-11-13-19(14-12-18)32(30,31)27-16-6-1-7-17-27/h2-5,8-15,23,26H,1,6-7,16-17H2.
What are the key properties of 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one?
3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one has a molecular weight of 448.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylanilino)-2-pyridin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 5307184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).