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

C10H9ClFNO4S2 — CID 61142290

IUPAC(4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFNO4S2/c11-7-3-6(12)1-2-9(7)19(16,17)13-5-18-4-8(13)10(14)15/h1-3,8H,4-5H2,(H,14,15)/t8-/m0/s1
InChIKeySHUOMWGMFADJEA-QMMMGPOBSA-N
MW325.77 g/mol
LogP1.63
Rot. Bonds3

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

(4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61142290) has the molecular formula C10H9ClFNO4S2 and a molecular weight of 325.77 g/mol. Its IUPAC name is (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID61142290
Molecular FormulaC10H9ClFNO4S2
Molecular Weight325.77 g/mol
Exact Mass324.96
IUPAC Name(4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFNO4S2/c11-7-3-6(12)1-2-9(7)19(16,17)13-5-18-4-8(13)10(14)15/h1-3,8H,4-5H2,(H,14,15)/t8-/m0/s1
InChIKeySHUOMWGMFADJEA-QMMMGPOBSA-N
XLogP1.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 61142290) is (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SHUOMWGMFADJEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9ClFNO4S2/c11-7-3-6(12)1-2-9(7)19(16,17)13-5-18-4-8(13)10(14)15/h1-3,8H,4-5H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 325.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-chloro-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61142290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).