N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide

C11H11FN2O3S — CID 167917231

IUPACN-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)C1C=CCN1
InChIInChI=1S/C11H11FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-11(15)10-2-1-7-13-10/h1-6,10,13H,7H2,(H,14,15)
InChIKeyHYYOBPOKROFNHL-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.16
Rot. Bonds3

About N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide

N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 167917231) has the molecular formula C11H11FN2O3S and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID167917231
Molecular FormulaC11H11FN2O3S
Molecular Weight270.29 g/mol
Exact Mass270.05
IUPAC NameN-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)C1C=CCN1
InChIInChI=1S/C11H11FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-11(15)10-2-1-7-13-10/h1-6,10,13H,7H2,(H,14,15)
InChIKeyHYYOBPOKROFNHL-UHFFFAOYSA-N
XLogP0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
4-fluoro-N-prop-1-en-2-ylbenzenesulfonamide
CID 175173681
N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 67178162
trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95326959
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
(E)-2-(aminomethyl)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide;hydrochloride
CID 66935355
3-N,5-N-bis[(4-fluorophenyl)sulfonyl]pyridine-3,5-dicarboxamide
CID 57399860
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 167917231) is N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NS(=O)(=O)c1ccc(F)cc1)C1C=CCN1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is HYYOBPOKROFNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-11(15)10-2-1-7-13-10/h1-6,10,13H,7H2,(H,14,15).
What are the key properties of N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167917231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).