4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid

C17H14N2O6S — CID 980643

IUPAC4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C17H14N2O6S/c20-15-9-10-16(21)19(15)13-5-7-14(8-6-13)26(24,25)18-12-3-1-11(2-4-12)17(22)23/h1-8,18H,9-10H2,(H,22,23)
InChIKeyMONULGLQVUXWFV-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.84
Rot. Bonds5

About 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid

4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid (PubChem CID 980643) has the molecular formula C17H14N2O6S and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
PubChem CID980643
Molecular FormulaC17H14N2O6S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C17H14N2O6S/c20-15-9-10-16(21)19(15)13-5-7-14(8-6-13)26(24,25)18-12-3-1-11(2-4-12)17(22)23/h1-8,18H,9-10H2,(H,22,23)
InChIKeyMONULGLQVUXWFV-UHFFFAOYSA-N
XLogP1.84
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid (CID 980643) is 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is MONULGLQVUXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6S/c20-15-9-10-16(21)19(15)13-5-7-14(8-6-13)26(24,25)18-12-3-1-11(2-4-12)17(22)23/h1-8,18H,9-10H2,(H,22,23).
What are the key properties of 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 374.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 980643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).