N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide

C11H11FN2O3S — CID 91652925

IUPACN-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ncccc1F)C1CC=CC1
InChIInChI=1S/C11H11FN2O3S/c12-9-6-3-7-13-11(9)18(16,17)14-10(15)8-4-1-2-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyDACLSJCPMOFNMH-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.99
Rot. Bonds3

About N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide

N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide (PubChem CID 91652925) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide
PubChem CID91652925
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC NameN-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ncccc1F)C1CC=CC1
InChIInChI=1S/C11H11FN2O3S/c12-9-6-3-7-13-11(9)18(16,17)14-10(15)8-4-1-2-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyDACLSJCPMOFNMH-UHFFFAOYSA-N
XLogP0.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide (CID 91652925) is N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide is O=C(NS(=O)(=O)c1ncccc1F)C1CC=CC1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is DACLSJCPMOFNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c12-9-6-3-7-13-11(9)18(16,17)14-10(15)8-4-1-2-5-8/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide?
N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 91652925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).