4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

C16H12Cl2N2O4S — CID 3022149

IUPAC4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(c3ccc(Cl)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C16H12Cl2N2O4S/c17-13-6-1-9(7-14(13)18)12-8-15(21)20(16(12)22)10-2-4-11(5-3-10)25(19,23)24/h1-7,12H,8H2,(H2,19,23,24)
InChIKeyFURSEBSCITVIER-UHFFFAOYSA-N
MW399.26 g/mol
LogP2.69
Rot. Bonds3

About 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 3022149) has the molecular formula C16H12Cl2N2O4S and a molecular weight of 399.26 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID3022149
Molecular FormulaC16H12Cl2N2O4S
Molecular Weight399.26 g/mol
Exact Mass397.99
IUPAC Name4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(c3ccc(Cl)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C16H12Cl2N2O4S/c17-13-6-1-9(7-14(13)18)12-8-15(21)20(16(12)22)10-2-4-11(5-3-10)25(19,23)24/h1-7,12H,8H2,(H2,19,23,24)
InChIKeyFURSEBSCITVIER-UHFFFAOYSA-N
XLogP2.69
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (CID 3022149) is 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)CC(c3ccc(Cl)c(Cl)c3)C2=O)cc1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is FURSEBSCITVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4S/c17-13-6-1-9(7-14(13)18)12-8-15(21)20(16(12)22)10-2-4-11(5-3-10)25(19,23)24/h1-7,12H,8H2,(H2,19,23,24).
What are the key properties of 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 399.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 3022149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).