3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C10H10FNO4S2 — CID 24705125

IUPAC3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H10FNO4S2/c11-7-3-1-2-4-9(7)18(15,16)12-6-17-5-8(12)10(13)14/h1-4,8H,5-6H2,(H,13,14)
InChIKeyNTPWDJLXWCGRRH-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.97
Rot. Bonds3

About 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24705125) has the molecular formula C10H10FNO4S2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID24705125
Molecular FormulaC10H10FNO4S2
Molecular Weight291.32 g/mol
Exact Mass291.00
IUPAC Name3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H10FNO4S2/c11-7-3-1-2-4-9(7)18(15,16)12-6-17-5-8(12)10(13)14/h1-4,8H,5-6H2,(H,13,14)
InChIKeyNTPWDJLXWCGRRH-UHFFFAOYSA-N
XLogP0.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 56999526
(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61141539
(4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142205
4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide
CID 75443822
(3R)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2384523
3-(5-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361506
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
(3R)-4-(2,4-difluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 71419679
3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361514
4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980358
(4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142127
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 24705125) is 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NTPWDJLXWCGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4S2/c11-7-3-1-2-4-9(7)18(15,16)12-6-17-5-8(12)10(13)14/h1-4,8H,5-6H2,(H,13,14).
What are the key properties of 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24705125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).