3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid

C11H11FO4S — CID 168874395

IUPAC3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C11H11FO4S/c12-8-2-1-3-9(6-8)17(15,16)10-4-7(5-10)11(13)14/h1-3,6-7,10H,4-5H2,(H,13,14)
InChIKeyPGKDSVKTEHXBFT-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.46
Rot. Bonds3

About 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid

3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid (PubChem CID 168874395) has the molecular formula C11H11FO4S and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid
PubChem CID168874395
Molecular FormulaC11H11FO4S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C11H11FO4S/c12-8-2-1-3-9(6-8)17(15,16)10-4-7(5-10)11(13)14/h1-3,6-7,10H,4-5H2,(H,13,14)
InChIKeyPGKDSVKTEHXBFT-UHFFFAOYSA-N
XLogP1.46
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutylsulfonyl-3-fluorobenzene
CID 141111892
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
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CID 16775048
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
3-(benzenesulfonyl)cyclohexane-1-carboxylic acid
CID 115049970
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
1-(aminomethyl)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 102570888
3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138031784
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid (CID 168874395) is 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid is O=C(O)C1CC(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
The InChIKey is PGKDSVKTEHXBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4S/c12-8-2-1-3-9(6-8)17(15,16)10-4-7(5-10)11(13)14/h1-3,6-7,10H,4-5H2,(H,13,14).
What are the key properties of 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 168874395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).