2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide

C10H8N2O4S — CID 18755844

IUPAC2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O4S/c11-17(15,16)8-4-2-1-3-7(8)12-9(13)5-6-10(12)14/h1-6H,(H2,11,15,16)
InChIKeyPFQRIHGCFHCSDJ-UHFFFAOYSA-N
MW252.25 g/mol
LogP-0.24
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide

2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide (PubChem CID 18755844) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
PubChem CID18755844
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O4S/c11-17(15,16)8-4-2-1-3-7(8)12-9(13)5-6-10(12)14/h1-6H,(H2,11,15,16)
InChIKeyPFQRIHGCFHCSDJ-UHFFFAOYSA-N
XLogP-0.24
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-0.24
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 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide (CID 18755844) is 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The InChIKey is PFQRIHGCFHCSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c11-17(15,16)8-4-2-1-3-7(8)12-9(13)5-6-10(12)14/h1-6H,(H2,11,15,16).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide has a molecular weight of 252.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide is sourced from PubChem (CID 18755844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).