4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid

C14H12FNO4S2 — CID 166213017

IUPAC4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC2c2ccccc2F)cs1
InChIInChI=1S/C14H12FNO4S2/c15-11-4-2-1-3-10(11)12-5-6-16(12)22(19,20)9-7-13(14(17)18)21-8-9/h1-4,7-8,12H,5-6H2,(H,17,18)
InChIKeyYAFPMYTZTFPDAP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.72
Rot. Bonds4

About 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid

4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 166213017) has the molecular formula C14H12FNO4S2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID166213017
Molecular FormulaC14H12FNO4S2
Molecular Weight341.39 g/mol
Exact Mass341.02
IUPAC Name4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC2c2ccccc2F)cs1
InChIInChI=1S/C14H12FNO4S2/c15-11-4-2-1-3-10(11)12-5-6-16(12)22(19,20)9-7-13(14(17)18)21-8-9/h1-4,7-8,12H,5-6H2,(H,17,18)
InChIKeyYAFPMYTZTFPDAP-UHFFFAOYSA-N
XLogP2.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
CID 51856093
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120763445
4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61066624
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63616973
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
CID 55151488
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61063212

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid (CID 166213017) is 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCC2c2ccccc2F)cs1.
What is the InChIKey of 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is YAFPMYTZTFPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S2/c15-11-4-2-1-3-10(11)12-5-6-16(12)22(19,20)9-7-13(14(17)18)21-8-9/h1-4,7-8,12H,5-6H2,(H,17,18).
What are the key properties of 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid?
4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 166213017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).