2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide

C11H13ClN2O3S3 — CID 22756385

IUPAC2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCCN1C(=S)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H13ClN2O3S3/c1-2-14-10(18)19-6-11(14,15)7-3-4-8(12)9(5-7)20(13,16)17/h3-5,15H,2,6H2,1H3,(H2,13,16,17)
InChIKeyWQWUTWMSBWWPAA-UHFFFAOYSA-N
MW352.89 g/mol
LogP1.49
Rot. Bonds3

About 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide

2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide (PubChem CID 22756385) has the molecular formula C11H13ClN2O3S3 and a molecular weight of 352.89 g/mol. Its IUPAC name is 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
PubChem CID22756385
Molecular FormulaC11H13ClN2O3S3
Molecular Weight352.89 g/mol
Exact Mass351.98
IUPAC Name2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCCN1C(=S)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H13ClN2O3S3/c1-2-14-10(18)19-6-11(14,15)7-3-4-8(12)9(5-7)20(13,16)17/h3-5,15H,2,6H2,1H3,(H2,13,16,17)
InChIKeyWQWUTWMSBWWPAA-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756390
[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
CID 21316692
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
dibutyl-[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]azanium chloride
CID 21316715
2-bromo-5-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22760570
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
N-benzyl-2-chloro-5-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide (CID 22756385) is 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide is CCN1C(=S)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide?
The InChIKey is WQWUTWMSBWWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S3/c1-2-14-10(18)19-6-11(14,15)7-3-4-8(12)9(5-7)20(13,16)17/h3-5,15H,2,6H2,1H3,(H2,13,16,17).
What are the key properties of 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide?
2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide has a molecular weight of 352.89 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 22756385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).