4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

C11H14N2O4S — CID 79216514

IUPAC4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCn1ccc(S(=O)(=O)NC2C=CC(C(=O)O)C2)c1
InChIInChI=1S/C11H14N2O4S/c1-13-5-4-10(7-13)18(16,17)12-9-3-2-8(6-9)11(14)15/h2-5,7-9,12H,6H2,1H3,(H,14,15)
InChIKeyBLKZVHBIAUBQJN-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.33
Rot. Bonds4

About 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216514) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216514
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCn1ccc(S(=O)(=O)NC2C=CC(C(=O)O)C2)c1
InChIInChI=1S/C11H14N2O4S/c1-13-5-4-10(7-13)18(16,17)12-9-3-2-8(6-9)11(14)15/h2-5,7-9,12H,6H2,1H3,(H,14,15)
InChIKeyBLKZVHBIAUBQJN-UHFFFAOYSA-N
XLogP0.33
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.33
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-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (CID 79216514) is 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is Cn1ccc(S(=O)(=O)NC2C=CC(C(=O)O)C2)c1.
What is the InChIKey of 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is BLKZVHBIAUBQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-13-5-4-10(7-13)18(16,17)12-9-3-2-8(6-9)11(14)15/h2-5,7-9,12H,6H2,1H3,(H,14,15).
What are the key properties of 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrol-3-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).