N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide

C23H19N3O5S — CID 56509709

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H19N3O5S/c1-2-32(30,31)25-20-13-6-5-12-19(20)21(27)24-15-8-7-9-16(14-15)26-22(28)17-10-3-4-11-18(17)23(26)29/h3-14,25H,2H2,1H3,(H,24,27)
InChIKeyYVLSXVBGRBTSDZ-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.50
Rot. Bonds6

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide (PubChem CID 56509709) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
PubChem CID56509709
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H19N3O5S/c1-2-32(30,31)25-20-13-6-5-12-19(20)21(27)24-15-8-7-9-16(14-15)26-22(28)17-10-3-4-11-18(17)23(26)29/h3-14,25H,2H2,1H3,(H,24,27)
InChIKeyYVLSXVBGRBTSDZ-UHFFFAOYSA-N
XLogP3.50
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 56509582
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 56508199
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
CID 56506673
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 56507674
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
CID 110352273
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56508672

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide (CID 56509709) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide is CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide?
The InChIKey is YVLSXVBGRBTSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-2-32(30,31)25-20-13-6-5-12-19(20)21(27)24-15-8-7-9-16(14-15)26-22(28)17-10-3-4-11-18(17)23(26)29/h3-14,25H,2H2,1H3,(H,24,27).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide has a molecular weight of 449.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 56509709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).