3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C10H9F2NO4S2 — CID 43343918

IUPAC3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO4S2/c11-7-2-1-6(3-8(7)12)19(16,17)13-5-18-4-9(13)10(14)15/h1-3,9H,4-5H2,(H,14,15)
InChIKeyOTXPVZJXMLXQLN-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.11
Rot. Bonds3

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

3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43343918) has the molecular formula C10H9F2NO4S2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID43343918
Molecular FormulaC10H9F2NO4S2
Molecular Weight309.32 g/mol
Exact Mass308.99
IUPAC Name3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO4S2/c11-7-2-1-6(3-8(7)12)19(16,17)13-5-18-4-9(13)10(14)15/h1-3,9H,4-5H2,(H,14,15)
InChIKeyOTXPVZJXMLXQLN-UHFFFAOYSA-N
XLogP1.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 43343918) is 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OTXPVZJXMLXQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4S2/c11-7-2-1-6(3-8(7)12)19(16,17)13-5-18-4-9(13)10(14)15/h1-3,9H,4-5H2,(H,14,15).
What are the key properties of 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43343918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).