4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

C9H7ClN2O3S2 — CID 137079416

IUPAC4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESO=C1CSC(=NS(=O)(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H7ClN2O3S2/c10-6-1-3-7(4-2-6)17(14,15)12-9-11-8(13)5-16-9/h1-4H,5H2,(H,11,12,13)
InChIKeyDMBADHXXNVHPDW-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.25
Rot. Bonds2

About 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (PubChem CID 137079416) has the molecular formula C9H7ClN2O3S2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
PubChem CID137079416
Molecular FormulaC9H7ClN2O3S2
Molecular Weight290.75 g/mol
Exact Mass289.96
IUPAC Name4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESO=C1CSC(=NS(=O)(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H7ClN2O3S2/c10-6-1-3-7(4-2-6)17(14,15)12-9-11-8(13)5-16-9/h1-4H,5H2,(H,11,12,13)
InChIKeyDMBADHXXNVHPDW-UHFFFAOYSA-N
XLogP1.25
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (CID 137079416) is 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is O=C1CSC(=NS(=O)(=O)c2ccc(Cl)cc2)N1.
What is the InChIKey of 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The InChIKey is DMBADHXXNVHPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3S2/c10-6-1-3-7(4-2-6)17(14,15)12-9-11-8(13)5-16-9/h1-4H,5H2,(H,11,12,13).
What are the key properties of 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide has a molecular weight of 290.75 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 137079416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).