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

C12H11ClN2O3S2 — CID 6505534

IUPAC(NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESC=CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S2/c1-2-7-15-11(16)8-19-12(15)14-20(17,18)10-5-3-9(13)4-6-10/h2-6H,1,7-8H2/b14-12-
InChIKeyBZRKWCUOVDGIPG-OWBHPGMISA-N
MW330.82 g/mol
LogP2.15
Rot. Bonds4

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

(NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide (PubChem CID 6505534) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
PubChem CID6505534
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name(NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESC=CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S2/c1-2-7-15-11(16)8-19-12(15)14-20(17,18)10-5-3-9(13)4-6-10/h2-6H,1,7-8H2/b14-12-
InChIKeyBZRKWCUOVDGIPG-OWBHPGMISA-N
XLogP2.15
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide (CID 6505534) is (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide is C=CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The InChIKey is BZRKWCUOVDGIPG-OWBHPGMISA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c1-2-7-15-11(16)8-19-12(15)14-20(17,18)10-5-3-9(13)4-6-10/h2-6H,1,7-8H2/b14-12-.
What are the key properties of (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
(NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide has a molecular weight of 330.82 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 6505534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).