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

C20H14N2O4S — CID 110352274

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H14N2O4S/c23-19-17-11-4-5-12-18(17)20(24)22(19)15-8-6-7-14(13-15)21-27(25,26)16-9-2-1-3-10-16/h1-13,21H
InChIKeyFDIPHAANWOYJPM-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.29
Rot. Bonds4

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

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide (PubChem CID 110352274) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
PubChem CID110352274
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H14N2O4S/c23-19-17-11-4-5-12-18(17)20(24)22(19)15-8-6-7-14(13-15)21-27(25,26)16-9-2-1-3-10-16/h1-13,21H
InChIKeyFDIPHAANWOYJPM-UHFFFAOYSA-N
XLogP3.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 91937827
2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
CID 110352273
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
3-(1,3-dioxoisoindol-2-yl)benzenesulfonic acid
CID 168515939
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide
CID 25044036
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 17016382
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide (CID 110352274) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide is O=C1c2ccccc2C(=O)N1c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is FDIPHAANWOYJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-19-17-11-4-5-12-18(17)20(24)22(19)15-8-6-7-14(13-15)21-27(25,26)16-9-2-1-3-10-16/h1-13,21H.
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 378.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110352274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).