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

C11H11ClN2O3S2 — CID 6507306

IUPAC(NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O3S2/c1-2-14-10(15)7-18-11(14)13-19(16,17)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b13-11-
InChIKeyJTIYCQPAQPWHHP-QBFSEMIESA-N
MW318.81 g/mol
LogP1.98
Rot. Bonds3

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

(NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (PubChem CID 6507306) has the molecular formula C11H11ClN2O3S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
PubChem CID6507306
Molecular FormulaC11H11ClN2O3S2
Molecular Weight318.81 g/mol
Exact Mass317.99
IUPAC Name(NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O3S2/c1-2-14-10(15)7-18-11(14)13-19(16,17)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b13-11-
InChIKeyJTIYCQPAQPWHHP-QBFSEMIESA-N
XLogP1.98
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.98
H-Bond Donors ≤ 50
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 (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (CID 6507306) is (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The InChIKey is JTIYCQPAQPWHHP-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11ClN2O3S2/c1-2-14-10(15)7-18-11(14)13-19(16,17)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b13-11-.
What are the key properties of (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
(NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide has a molecular weight of 318.81 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-chloro-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 6507306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).