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

C10H10ClNO4S2 — CID 43113873

IUPAC3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO4S2/c11-7-2-1-3-8(4-7)18(15,16)12-6-17-5-9(12)10(13)14/h1-4,9H,5-6H2,(H,13,14)
InChIKeyZIUXBXXFNSISEO-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.49
Rot. Bonds3

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

3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43113873) has the molecular formula C10H10ClNO4S2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID43113873
Molecular FormulaC10H10ClNO4S2
Molecular Weight307.78 g/mol
Exact Mass306.97
IUPAC Name3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO4S2/c11-7-2-1-3-8(4-7)18(15,16)12-6-17-5-9(12)10(13)14/h1-4,9H,5-6H2,(H,13,14)
InChIKeyZIUXBXXFNSISEO-UHFFFAOYSA-N
XLogP1.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
3-(5-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361506
3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780237
(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141879
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61141539
(2S)-2-[[(4R)-3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-(4-sulfooxyphenyl)propanoic acid
CID 139912567
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43361535
3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361514
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 43113873) is 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZIUXBXXFNSISEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S2/c11-7-2-1-3-8(4-7)18(15,16)12-6-17-5-9(12)10(13)14/h1-4,9H,5-6H2,(H,13,14).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 307.78 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43113873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).