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

C14H15NO5S — CID 79192254

IUPAC4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NC2C=CC(C(=O)O)C2)cc1
InChIInChI=1S/C14H15NO5S/c1-9(16)10-3-6-13(7-4-10)21(19,20)15-12-5-2-11(8-12)14(17)18/h2-7,11-12,15H,8H2,1H3,(H,17,18)
InChIKeyLULPLPRBGDBAFC-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.20
Rot. Bonds5

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

4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192254) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79192254
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NC2C=CC(C(=O)O)C2)cc1
InChIInChI=1S/C14H15NO5S/c1-9(16)10-3-6-13(7-4-10)21(19,20)15-12-5-2-11(8-12)14(17)18/h2-7,11-12,15H,8H2,1H3,(H,17,18)
InChIKeyLULPLPRBGDBAFC-UHFFFAOYSA-N
XLogP1.20
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.20
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-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (CID 79192254) is 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is CC(=O)c1ccc(S(=O)(=O)NC2C=CC(C(=O)O)C2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is LULPLPRBGDBAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-9(16)10-3-6-13(7-4-10)21(19,20)15-12-5-2-11(8-12)14(17)18/h2-7,11-12,15H,8H2,1H3,(H,17,18).
What are the key properties of 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).