2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide

C17H11Cl4N3O4S2 — CID 2743942

IUPAC2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1csc(COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H11Cl4N3O4S2/c18-9-3-10(19)5-11(4-9)28-7-16-22-15(8-29-16)17(25)23-24-30(26,27)12-1-2-13(20)14(21)6-12/h1-6,8,24H,7H2,(H,23,25)
InChIKeyYQKRXZQINHRHGD-UHFFFAOYSA-N
MW527.24 g/mol
LogP4.96
Rot. Bonds7

About 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide

2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide (PubChem CID 2743942) has the molecular formula C17H11Cl4N3O4S2 and a molecular weight of 527.24 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
PubChem CID2743942
Molecular FormulaC17H11Cl4N3O4S2
Molecular Weight527.24 g/mol
Exact Mass524.89
IUPAC Name2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1csc(COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H11Cl4N3O4S2/c18-9-3-10(19)5-11(4-9)28-7-16-22-15(8-29-16)17(25)23-24-30(26,27)12-1-2-13(20)14(21)6-12/h1-6,8,24H,7H2,(H,23,25)
InChIKeyYQKRXZQINHRHGD-UHFFFAOYSA-N
XLogP4.96
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.24
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-Dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 2743941
N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 2743943
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 25670323
N-(benzenesulfonyl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 60494008
4-[(3,4-Dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63576623

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide (CID 2743942) is 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1csc(COc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is YQKRXZQINHRHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl4N3O4S2/c18-9-3-10(19)5-11(4-9)28-7-16-22-15(8-29-16)17(25)23-24-30(26,27)12-1-2-13(20)14(21)6-12/h1-6,8,24H,7H2,(H,23,25).
What are the key properties of 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 527.24 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2743942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).