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

C10H9BrFNO4S2 — CID 61142205

IUPAC(4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H9BrFNO4S2/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
InChIKeyHXFISKDVJPUOEZ-QMMMGPOBSA-N
MW370.22 g/mol
LogP1.74
Rot. Bonds3

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

(4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61142205) has the molecular formula C10H9BrFNO4S2 and a molecular weight of 370.22 g/mol. Its IUPAC name is (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID61142205
Molecular FormulaC10H9BrFNO4S2
Molecular Weight370.22 g/mol
Exact Mass368.91
IUPAC Name(4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H9BrFNO4S2/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
InChIKeyHXFISKDVJPUOEZ-QMMMGPOBSA-N
XLogP1.74
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125
(3R)-4-(2,4-difluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 71419679
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
(4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142127
(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61141539
3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361514
(4R)-3-(2-chloro-5-cyanophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 80704459
4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83092795
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 53211332
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980358

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 61142205) is (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HXFISKDVJPUOEZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9BrFNO4S2/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-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 370.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61142205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).