1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide

C23H20N2O5S — CID 56586873

IUPAC1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCc3ccc(COCc4ccccc4)cc3)ccc21
InChIInChI=1S/C23H20N2O5S/c26-22-20-11-10-19(12-21(20)23(27)25-22)31(28,29)24-13-16-6-8-18(9-7-16)15-30-14-17-4-2-1-3-5-17/h1-12,24H,13-15H2,(H,25,26,27)
InChIKeyRASBEEOOXHYFDR-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.77
Rot. Bonds8

About 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide

1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide (PubChem CID 56586873) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
PubChem CID56586873
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCc3ccc(COCc4ccccc4)cc3)ccc21
InChIInChI=1S/C23H20N2O5S/c26-22-20-11-10-19(12-21(20)23(27)25-22)31(28,29)24-13-16-6-8-18(9-7-16)15-30-14-17-4-2-1-3-5-17/h1-12,24H,13-15H2,(H,25,26,27)
InChIKeyRASBEEOOXHYFDR-UHFFFAOYSA-N
XLogP2.77
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820371
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
4-amino-N-benzyl-3-bromobenzenesulfonamide
CID 62058559
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56587289
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550066
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide?
The IUPAC name of 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide (CID 56586873) is 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide.
What is the SMILES notation for 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide?
The canonical SMILES for 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide is O=C1NC(=O)c2cc(S(=O)(=O)NCc3ccc(COCc4ccccc4)cc3)ccc21.
What is the InChIKey of 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide?
The InChIKey is RASBEEOOXHYFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c26-22-20-11-10-19(12-21(20)23(27)25-22)31(28,29)24-13-16-6-8-18(9-7-16)15-30-14-17-4-2-1-3-5-17/h1-12,24H,13-15H2,(H,25,26,27).
What are the key properties of 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide?
1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide has a molecular weight of 436.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide is sourced from PubChem (CID 56586873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).