N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide

C23H24N4O3S — CID 20854985

IUPACN,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C23H24N4O3S/c1-3-26(4-2)31(29,30)18-14-12-17(13-15-18)25-22-19-9-5-6-10-20(19)23(28)27(22)21-11-7-8-16-24-21/h5-16,22,25H,3-4H2,1-2H3
InChIKeyFNMACWHIIXLBFM-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.88
Rot. Bonds7

About N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide

N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide (PubChem CID 20854985) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide
PubChem CID20854985
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C23H24N4O3S/c1-3-26(4-2)31(29,30)18-14-12-17(13-15-18)25-22-19-9-5-6-10-20(19)23(28)27(22)21-11-7-8-16-24-21/h5-16,22,25H,3-4H2,1-2H3
InChIKeyFNMACWHIIXLBFM-UHFFFAOYSA-N
XLogP3.88
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide (CID 20854985) is N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2c2ccccn2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide?
The InChIKey is FNMACWHIIXLBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-3-26(4-2)31(29,30)18-14-12-17(13-15-18)25-22-19-9-5-6-10-20(19)23(28)27(22)21-11-7-8-16-24-21/h5-16,22,25H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide?
N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-oxo-2-pyridin-2-yl-1H-isoindol-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 20854985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).