4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide

C16H14N2O4S — CID 867577

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H14N2O4S/c19-15-10-11-16(20)18(15)13-6-8-14(9-7-13)23(21,22)17-12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyVOHKWKCJOFGEHA-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.14
Rot. Bonds4

About 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide (PubChem CID 867577) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
PubChem CID867577
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H14N2O4S/c19-15-10-11-16(20)18(15)13-6-8-14(9-7-13)23(21,22)17-12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyVOHKWKCJOFGEHA-UHFFFAOYSA-N
XLogP2.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.14
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

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
CID 100540065
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide
CID 146022793
N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110425307
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 146021431
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 42347010
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 43853531
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
ethyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 100539948
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 873017

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide (CID 867577) is 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
The InChIKey is VOHKWKCJOFGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c19-15-10-11-16(20)18(15)13-6-8-14(9-7-13)23(21,22)17-12-4-2-1-3-5-12/h1-9,17H,10-11H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 867577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).