2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid

C11H13NO4S2 — CID 71092624

IUPAC2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid
SMILESO=C(O)CC1SCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO4S2/c13-11(14)8-10-12(6-7-17-10)18(15,16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)
InChIKeyGYOXRSRJMNDCLO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.22
Rot. Bonds4

About 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid

2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid (PubChem CID 71092624) has the molecular formula C11H13NO4S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid
PubChem CID71092624
Molecular FormulaC11H13NO4S2
Molecular Weight287.36 g/mol
Exact Mass287.03
IUPAC Name2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid
SMILESO=C(O)CC1SCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO4S2/c13-11(14)8-10-12(6-7-17-10)18(15,16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)
InChIKeyGYOXRSRJMNDCLO-UHFFFAOYSA-N
XLogP1.22
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-3-formylpiperazine-1-carboxylic acid
CID 121377708
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine
CID 3681206
4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide
CID 167544763
(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 799925
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3309477
(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 40837132
(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 983220
2-[4-(3-methoxyphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 81264881
(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 852148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid?
The IUPAC name of 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid (CID 71092624) is 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid is O=C(O)CC1SCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid?
The InChIKey is GYOXRSRJMNDCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S2/c13-11(14)8-10-12(6-7-17-10)18(15,16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14).
What are the key properties of 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid?
2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid is sourced from PubChem (CID 71092624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).