N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide

C16H12ClF3N4O4S2 — CID 68654000

IUPACN'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N4O4S2/c17-10-1-3-11(4-2-10)27-9-14-21-22-15(29-14)23-24-30(25,26)13-7-5-12(6-8-13)28-16(18,19)20/h1-8,24H,9H2,(H,22,23)
InChIKeyAWOMHXZGPHBIHA-UHFFFAOYSA-N
MW480.88 g/mol
LogP3.97
Rot. Bonds8

About N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide

N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide (PubChem CID 68654000) has the molecular formula C16H12ClF3N4O4S2 and a molecular weight of 480.88 g/mol. Its IUPAC name is N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide
PubChem CID68654000
Molecular FormulaC16H12ClF3N4O4S2
Molecular Weight480.88 g/mol
Exact Mass479.99
IUPAC NameN'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N4O4S2/c17-10-1-3-11(4-2-10)27-9-14-21-22-15(29-14)23-24-30(25,26)13-7-5-12(6-8-13)28-16(18,19)20/h1-8,24H,9H2,(H,22,23)
InChIKeyAWOMHXZGPHBIHA-UHFFFAOYSA-N
XLogP3.97
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide 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

N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68653949
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylbutanamide
CID 4068894
4-chloro-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3349021
2-(benzenesulfonyl)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3605298
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
2-ethylsulfanyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3,4-thiadiazole
CID 141471130
3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8616640
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
CID 17224954
4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
CID 31113443
5-[(4-chloro-3-fluorophenoxy)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82716920
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3968281
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide?
The IUPAC name of N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide (CID 68654000) is N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide.
What is the SMILES notation for N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide?
The canonical SMILES for N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide is O=S(=O)(NNc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide?
The InChIKey is AWOMHXZGPHBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O4S2/c17-10-1-3-11(4-2-10)27-9-14-21-22-15(29-14)23-24-30(25,26)13-7-5-12(6-8-13)28-16(18,19)20/h1-8,24H,9H2,(H,22,23).
What are the key properties of N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide?
N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide has a molecular weight of 480.88 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonohydrazide is sourced from PubChem (CID 68654000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).