4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

C14H10N2O4S — CID 3586494

IUPAC4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20)
InChIKeyOUGLLSMFRGBCIL-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.13
Rot. Bonds2

About 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 3586494) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID3586494
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20)
InChIKeyOUGLLSMFRGBCIL-UHFFFAOYSA-N
XLogP1.13
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.13
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-Phenylphthalimide
CID 68215
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
4-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 73350410
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
4-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzenesulfonamide
CID 742873
4-[(2E)-2-[2-(3-fluorophenyl)-2-oxoethylidene]-5-oxopyrrolidin-1-yl]benzenesulfonamide
CID 156010649
2-[2-(Trifluoromethylsulfinyl)phenyl]isoindole-1,3-dione
CID 825459
4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzenesulfonamide
CID 2866981
2-[4-(4-Phenyl-piperazine-1-sulfonyl)-phenyl]-isoindole-1,3-dione
CID 647077
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3235931
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 968625
2-(4-Piperidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-one
CID 2327941

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 3586494) is 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is OUGLLSMFRGBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 302.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3586494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).