1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid

C12H13FO4S — CID 43519379

IUPAC1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H13FO4S/c13-9-3-5-10(6-4-9)18(16,17)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKeyVJNKFRQRCTZTMA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.00
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid

1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 43519379) has the molecular formula C12H13FO4S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID43519379
Molecular FormulaC12H13FO4S
Molecular Weight272.30 g/mol
Exact Mass272.05
IUPAC Name1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H13FO4S/c13-9-3-5-10(6-4-9)18(16,17)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKeyVJNKFRQRCTZTMA-UHFFFAOYSA-N
XLogP2.00
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid (CID 43519379) is 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is VJNKFRQRCTZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4S/c13-9-3-5-10(6-4-9)18(16,17)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 43519379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).