2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide

C10H11ClN2O4S2 — CID 22756390

IUPAC2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCN1C(=O)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H11ClN2O4S2/c1-13-9(14)18-5-10(13,15)6-2-3-7(11)8(4-6)19(12,16)17/h2-4,15H,5H2,1H3,(H2,12,16,17)
InChIKeyUGLGALSGXFFJQR-UHFFFAOYSA-N
MW322.80 g/mol
LogP0.93
Rot. Bonds2

About 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide

2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide (PubChem CID 22756390) has the molecular formula C10H11ClN2O4S2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
PubChem CID22756390
Molecular FormulaC10H11ClN2O4S2
Molecular Weight322.80 g/mol
Exact Mass321.98
IUPAC Name2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCN1C(=O)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H11ClN2O4S2/c1-13-9(14)18-5-10(13,15)6-2-3-7(11)8(4-6)19(12,16)17/h2-4,15H,5H2,1H3,(H2,12,16,17)
InChIKeyUGLGALSGXFFJQR-UHFFFAOYSA-N
XLogP0.93
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide (CID 22756390) is 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide is CN1C(=O)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide?
The InChIKey is UGLGALSGXFFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4S2/c1-13-9(14)18-5-10(13,15)6-2-3-7(11)8(4-6)19(12,16)17/h2-4,15H,5H2,1H3,(H2,12,16,17).
What are the key properties of 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide?
2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide has a molecular weight of 322.80 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 22756390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).