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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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).