3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C11H12FNO5S2 — CID 43361514

IUPAC3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CSCC2C(=O)O)cc1F
InChIInChI=1S/C11H12FNO5S2/c1-18-10-3-2-7(4-8(10)12)20(16,17)13-6-19-5-9(13)11(14)15/h2-4,9H,5-6H2,1H3,(H,14,15)
InChIKeyQFMILVXKGGPHGB-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.98
Rot. Bonds4

About 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43361514) has the molecular formula C11H12FNO5S2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID43361514
Molecular FormulaC11H12FNO5S2
Molecular Weight321.35 g/mol
Exact Mass321.01
IUPAC Name3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CSCC2C(=O)O)cc1F
InChIInChI=1S/C11H12FNO5S2/c1-18-10-3-2-7(4-8(10)12)20(16,17)13-6-19-5-9(13)11(14)15/h2-4,9H,5-6H2,1H3,(H,14,15)
InChIKeyQFMILVXKGGPHGB-UHFFFAOYSA-N
XLogP0.98
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780776
(4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142127
4-(4-methoxy-3-methylphenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78979746
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141879
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43431558
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125
3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43361535
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 43361514) is 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is COc1ccc(S(=O)(=O)N2CSCC2C(=O)O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QFMILVXKGGPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5S2/c1-18-10-3-2-7(4-8(10)12)20(16,17)13-6-19-5-9(13)11(14)15/h2-4,9H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 321.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43361514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).