[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium

C14H21ClN3O3S2+ — CID 21316692

IUPAC[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
SMILESCC[N+](CC)=C1SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C
InChIInChI=1S/C14H21ClN3O3S2/c1-4-18(5-2)13-17(3)14(19,9-22-13)10-6-7-11(15)12(8-10)23(16,20)21/h6-8,19H,4-5,9H2,1-3H3,(H2,16,20,21)/q+1
InChIKeyXKGKYZJBLGWHGG-UHFFFAOYSA-N
MW378.93 g/mol
LogP1.22
Rot. Bonds4

About [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium

[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium (PubChem CID 21316692) has the molecular formula C14H21ClN3O3S2+ and a molecular weight of 378.93 g/mol. Its IUPAC name is [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium.

Molecular Properties

Compound Name[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
PubChem CID21316692
Molecular FormulaC14H21ClN3O3S2+
Molecular Weight378.93 g/mol
Exact Mass378.07
IUPAC Name[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
SMILESCC[N+](CC)=C1SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C
InChIInChI=1S/C14H21ClN3O3S2/c1-4-18(5-2)13-17(3)14(19,9-22-13)10-6-7-11(15)12(8-10)23(16,20)21/h6-8,19H,4-5,9H2,1-3H3,(H2,16,20,21)/q+1
InChIKeyXKGKYZJBLGWHGG-UHFFFAOYSA-N
XLogP1.22
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibutyl-[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]azanium chloride
CID 21316715
2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756390
2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756385
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-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
2-chloro-5-(3-hexyl-2-hexylimino-4-hydroxy-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760537
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
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-(5-ethyl-4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 22760480
2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide
CID 22760409

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium?
The IUPAC name of [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium (CID 21316692) is [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium.
What is the SMILES notation for [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium?
The canonical SMILES for [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium is CC[N+](CC)=C1SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C.
What is the InChIKey of [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium?
The InChIKey is XKGKYZJBLGWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN3O3S2/c1-4-18(5-2)13-17(3)14(19,9-22-13)10-6-7-11(15)12(8-10)23(16,20)21/h6-8,19H,4-5,9H2,1-3H3,(H2,16,20,21)/q+1.
What are the key properties of [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium?
[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium has a molecular weight of 378.93 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium is sourced from PubChem (CID 21316692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).