4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide

C17H14N2O4S — CID 90654516

IUPAC4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide
SMILESCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)C(=O)NC2=O)cc1
InChIInChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyDRONBOFUARZCGK-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.21
Rot. Bonds3

About 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide

4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide (PubChem CID 90654516) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide
PubChem CID90654516
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide
SMILESCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)C(=O)NC2=O)cc1
InChIInChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyDRONBOFUARZCGK-UHFFFAOYSA-N
XLogP1.21
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 669716
Sulfonamide deriv., 7c
CID 3433937
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dione
CID 25058950
4-Methyl-N-tosylbenzamide
CID 286201
4-(1-Methyl-2,5-dioxo-4-phenylpyrrol-3-yl)benzenesulfonamide
CID 90654519
4-[1-Methyl-4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide
CID 90654520
4-(4-Sulfamoylphenyl)benzamide
CID 122194773
2-[4-(2-methylpropyl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 145975933
2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 890706
3-(4-(methylthio)phenyl)-4-phenyl-1H-pyrrole-2,5-dione
CID 25116313
3-(4-(methylsulfonyl)phenyl)-4-phenyl-1H-pyrrole-2,5-dione
CID 25116314

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide (CID 90654516) is 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide is Cc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)C(=O)NC2=O)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide?
The InChIKey is DRONBOFUARZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21).
What are the key properties of 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide?
4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide has a molecular weight of 342.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide is sourced from PubChem (CID 90654516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).