4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

C13H12N2O4S — CID 79216600

IUPAC4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESN#Cc1ccccc1S(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H12N2O4S/c14-8-10-3-1-2-4-12(10)20(18,19)15-11-6-5-9(7-11)13(16)17/h1-6,9,11,15H,7H2,(H,16,17)
InChIKeyXPIVUIZNRIHEGS-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.87
Rot. Bonds4

About 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216600) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216600
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESN#Cc1ccccc1S(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H12N2O4S/c14-8-10-3-1-2-4-12(10)20(18,19)15-11-6-5-9(7-11)13(16)17/h1-6,9,11,15H,7H2,(H,16,17)
InChIKeyXPIVUIZNRIHEGS-UHFFFAOYSA-N
XLogP0.87
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (CID 79216600) is 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is N#Cc1ccccc1S(=O)(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is XPIVUIZNRIHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-8-10-3-1-2-4-12(10)20(18,19)15-11-6-5-9(7-11)13(16)17/h1-6,9,11,15H,7H2,(H,16,17).
What are the key properties of 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).