4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide

C9H9N3O3S2 — CID 135422576

IUPAC4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C9H9N3O3S2/c10-17(14,15)7-3-1-6(2-4-7)11-9-12-8(13)5-16-9/h1-4H,5H2,(H2,10,14,15)(H,11,12,13)
InChIKeyRWMDQWYQDKEGBG-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.18
Rot. Bonds2

About 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide

4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide (PubChem CID 135422576) has the molecular formula C9H9N3O3S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide
PubChem CID135422576
Molecular FormulaC9H9N3O3S2
Molecular Weight271.32 g/mol
Exact Mass271.01
IUPAC Name4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C9H9N3O3S2/c10-17(14,15)7-3-1-6(2-4-7)11-9-12-8(13)5-16-9/h1-4H,5H2,(H2,10,14,15)(H,11,12,13)
InChIKeyRWMDQWYQDKEGBG-UHFFFAOYSA-N
XLogP0.18
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide (CID 135422576) is 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C2/NC(=O)CS2)cc1.
What is the InChIKey of 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide?
The InChIKey is RWMDQWYQDKEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S2/c10-17(14,15)7-3-1-6(2-4-7)11-9-12-8(13)5-16-9/h1-4H,5H2,(H2,10,14,15)(H,11,12,13).
What are the key properties of 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide?
4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide has a molecular weight of 271.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 135422576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).