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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Related Compounds

[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
CID 21316692
2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 70618073
(Z)-but-2-enedioate;2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 131710962
dibutyl-[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]azanium chloride
CID 21316715
2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756385
2-chloro-5-(3-hexyl-2-hexylimino-4-hydroxy-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760537
2-chloro-5-(3-ethyl-4-hydroxy-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 162310188
2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride
CID 22760584
2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22760470
N-benzyl-2-chloro-5-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756422
2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760653
2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide
CID 22760454

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).