1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde

C11H12FNO3S — CID 82023455

IUPAC1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3S/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(13)8-14/h3-6,8,10H,1-2,7H2
InChIKeyAVBSOXVCRDUPTF-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.18
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde

1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde (PubChem CID 82023455) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde
PubChem CID82023455
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3S/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(13)8-14/h3-6,8,10H,1-2,7H2
InChIKeyAVBSOXVCRDUPTF-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Fluorophenyl)sulfonyl]prolinamide
CID 2947537
1-(Benzenesulfonyl)pyrrolidine-2-carboxamide
CID 42925351
2-Pyrrolidinecarboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-, (2S)-
CID 11459446
1-[(4-Methylphenyl)sulfonyl] 2-pyrrolidinecarboxaldehyde
CID 15614172
(s)-Phenylsulfonyl-prolinamide
CID 25671615
(2S)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide
CID 975442
1-(3-Fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 3715497
1-(2,4-Difluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 4988746
Methyl 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 5184191
(2S)-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbaldehyde
CID 20794046
1-(4-Fluorobenzenesulfonyl)-5-methyl-2-pyrrolidinone
CID 22725383
1-(4-Fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride
CID 24263472

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde (CID 82023455) is 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde is O=CC1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde?
The InChIKey is AVBSOXVCRDUPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(13)8-14/h3-6,8,10H,1-2,7H2.
What are the key properties of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde?
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 82023455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).