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

C10H10BrNO4S2 — CID 79216596

IUPAC4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C10H10BrNO4S2/c11-8-3-4-17-10(8)18(15,16)12-7-2-1-6(5-7)9(13)14/h1-4,6-7,12H,5H2,(H,13,14)
InChIKeyXHHNFZCJCSMYBK-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.82
Rot. Bonds4

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

4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216596) has the molecular formula C10H10BrNO4S2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216596
Molecular FormulaC10H10BrNO4S2
Molecular Weight352.23 g/mol
Exact Mass350.92
IUPAC Name4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C10H10BrNO4S2/c11-8-3-4-17-10(8)18(15,16)12-7-2-1-6(5-7)9(13)14/h1-4,6-7,12H,5H2,(H,13,14)
InChIKeyXHHNFZCJCSMYBK-UHFFFAOYSA-N
XLogP1.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.82
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-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (CID 79216596) is 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NS(=O)(=O)c2sccc2Br)C1.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is XHHNFZCJCSMYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4S2/c11-8-3-4-17-10(8)18(15,16)12-7-2-1-6(5-7)9(13)14/h1-4,6-7,12H,5H2,(H,13,14).
What are the key properties of 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 352.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).