1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H11ClFNO4S — CID 122068626

IUPAC1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO4S/c12-7-3-4-8(13)10(6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyRQYOIALTLRAFEC-UHFFFAOYSA-N
MW307.73 g/mol
LogP1.72
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 122068626) has the molecular formula C11H11ClFNO4S and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID122068626
Molecular FormulaC11H11ClFNO4S
Molecular Weight307.73 g/mol
Exact Mass307.01
IUPAC Name1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO4S/c12-7-3-4-8(13)10(6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyRQYOIALTLRAFEC-UHFFFAOYSA-N
XLogP1.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 122101498
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43361188
1-(5-chloro-2-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104589

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 122068626) is 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is RQYOIALTLRAFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4S/c12-7-3-4-8(13)10(6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16).
What are the key properties of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122068626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).