N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide

C11H12ClN3O3S2 — CID 123219813

IUPACN'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNc2nc(Cl)cs2)cc1
InChIInChI=1S/C11H12ClN3O3S2/c1-2-18-8-3-5-9(6-4-8)20(16,17)15-14-11-13-10(12)7-19-11/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyNZVQFFVRDNHAAG-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.50
Rot. Bonds6

About N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide

N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide (PubChem CID 123219813) has the molecular formula C11H12ClN3O3S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide
PubChem CID123219813
Molecular FormulaC11H12ClN3O3S2
Molecular Weight333.82 g/mol
Exact Mass333.00
IUPAC NameN'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNc2nc(Cl)cs2)cc1
InChIInChI=1S/C11H12ClN3O3S2/c1-2-18-8-3-5-9(6-4-8)20(16,17)15-14-11-13-10(12)7-19-11/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyNZVQFFVRDNHAAG-UHFFFAOYSA-N
XLogP2.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_G(2)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide?
The IUPAC name of N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide (CID 123219813) is N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide.
What is the SMILES notation for N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide?
The canonical SMILES for N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide is CCOc1ccc(S(=O)(=O)NNc2nc(Cl)cs2)cc1.
What is the InChIKey of N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide?
The InChIKey is NZVQFFVRDNHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S2/c1-2-18-8-3-5-9(6-4-8)20(16,17)15-14-11-13-10(12)7-19-11/h3-7,15H,2H2,1H3,(H,13,14).
What are the key properties of N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide?
N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide has a molecular weight of 333.82 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide is sourced from PubChem (CID 123219813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).