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

C11H12ClNO4S2 — CID 61141539

IUPAC(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H12ClNO4S2/c1-7-8(12)3-2-4-10(7)19(16,17)13-6-18-5-9(13)11(14)15/h2-4,9H,5-6H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyULZIYEVCBUVXFU-VIFPVBQESA-N
MW321.81 g/mol
LogP1.80
Rot. Bonds3

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

(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61141539) has the molecular formula C11H12ClNO4S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID61141539
Molecular FormulaC11H12ClNO4S2
Molecular Weight321.81 g/mol
Exact Mass320.99
IUPAC Name(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H12ClNO4S2/c1-7-8(12)3-2-4-10(7)19(16,17)13-6-18-5-9(13)11(14)15/h2-4,9H,5-6H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyULZIYEVCBUVXFU-VIFPVBQESA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
3-(5-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361506
(2S,4S)-1-(3-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713710
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125
4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980477
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
(4R)-3-(2-chloro-5-cyanophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 80704459
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 103099619
(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
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 53211332

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 61141539) is (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is Cc1c(Cl)cccc1S(=O)(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ULZIYEVCBUVXFU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12ClNO4S2/c1-7-8(12)3-2-4-10(7)19(16,17)13-6-18-5-9(13)11(14)15/h2-4,9H,5-6H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 321.81 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61141539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).