3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid

C18H13FO4S2 — CID 58390703

IUPAC3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H13FO4S2/c19-14-8-4-5-9-16(14)25(22,23)11-13-10-15(24-17(13)18(20)21)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21)
InChIKeyKHQXCSJPFWBWFA-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.23
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid

3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid (PubChem CID 58390703) has the molecular formula C18H13FO4S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid
PubChem CID58390703
Molecular FormulaC18H13FO4S2
Molecular Weight376.43 g/mol
Exact Mass376.02
IUPAC Name3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H13FO4S2/c19-14-8-4-5-9-16(14)25(22,23)11-13-10-15(24-17(13)18(20)21)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21)
InChIKeyKHQXCSJPFWBWFA-UHFFFAOYSA-N
XLogP4.23
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylmethyl]thiophene-2-carboxylic acid
CID 58390754
5-(4-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylmethyl]thiophene-2-carboxylic acid
CID 58390779
5-(4-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)thiophene-2-carboxylic acid
CID 58390770
3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid
CID 58390725
3-[(2-methylphenyl)sulfonylmethyl]-5-quinolin-8-ylthiophene-2-carboxylic acid
CID 58390751
3-[(4-chloro-2,5-dimethylphenyl)sulfonylmethyl]-5-thiophen-3-ylthiophene-2-carboxylic acid
CID 58390803
3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 23602083
3-[2-cyclohexyl-4-(2-fluorophenyl)sulfonyl-6-oxopiperazin-1-yl]-5-phenylthiophene-2-carboxylic acid
CID 66684717
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
CID 114349484
4-[(2-fluorophenyl)sulfonylmethyl]pyrimidine-5-carboxylic acid
CID 102974070
5-[(E)-2-(4-chlorophenyl)ethenyl]-3-[(2-methylphenyl)sulfonylmethyl]thiophene-2-carboxylic acid
CID 58390798
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 55824955

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid (CID 58390703) is 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid is O=C(O)c1sc(-c2ccccc2)cc1CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid?
The InChIKey is KHQXCSJPFWBWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO4S2/c19-14-8-4-5-9-16(14)25(22,23)11-13-10-15(24-17(13)18(20)21)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21).
What are the key properties of 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid?
3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 58390703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).