N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

C11H14N2O4S2 — CID 81433795

IUPACN-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C2CSCN2)c1
InChIInChI=1S/C11H14N2O4S2/c1-19(16,17)7-2-3-10(14)8(4-7)13-11(15)9-5-18-6-12-9/h2-4,9,12,14H,5-6H2,1H3,(H,13,15)
InChIKeyCQLRBPMGGYDTPI-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.40
Rot. Bonds3

About N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 81433795) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID81433795
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC NameN-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C2CSCN2)c1
InChIInChI=1S/C11H14N2O4S2/c1-19(16,17)7-2-3-10(14)8(4-7)13-11(15)9-5-18-6-12-9/h2-4,9,12,14H,5-6H2,1H3,(H,13,15)
InChIKeyCQLRBPMGGYDTPI-UHFFFAOYSA-N
XLogP0.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (CID 81433795) is N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is CS(=O)(=O)c1ccc(O)c(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CQLRBPMGGYDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-19(16,17)7-2-3-10(14)8(4-7)13-11(15)9-5-18-6-12-9/h2-4,9,12,14H,5-6H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 81433795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).