(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride

C11H11ClFNO3S — CID 42261131

IUPAC(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11ClFNO3S/c12-11(15)10-2-1-7-14(10)18(16,17)9-5-3-8(13)4-6-9/h3-6,10H,1-2,7H2/t10-/m0/s1
InChIKeyMVBXRAMOPSLEAG-JTQLQIEISA-N
MW291.73 g/mol
LogP1.74
Rot. Bonds3

About (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride

(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride (PubChem CID 42261131) has the molecular formula C11H11ClFNO3S and a molecular weight of 291.73 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride
PubChem CID42261131
Molecular FormulaC11H11ClFNO3S
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11ClFNO3S/c12-11(15)10-2-1-7-14(10)18(16,17)9-5-3-8(13)4-6-9/h3-6,10H,1-2,7H2/t10-/m0/s1
InChIKeyMVBXRAMOPSLEAG-JTQLQIEISA-N
XLogP1.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride (CID 42261131) is (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride is O=C(Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride?
The InChIKey is MVBXRAMOPSLEAG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11ClFNO3S/c12-11(15)10-2-1-7-14(10)18(16,17)9-5-3-8(13)4-6-9/h3-6,10H,1-2,7H2/t10-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride?
(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride has a molecular weight of 291.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl chloride is sourced from PubChem (CID 42261131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).