N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide

C12H8F6N4O3S2 — CID 2804275

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F6N4O3S2/c1-5-9(26-21-19-5)10(23)20-22-27(24,25)8-3-6(11(13,14)15)2-7(4-8)12(16,17)18/h2-4,22H,1H3,(H,20,23)
InChIKeySFKUFMXZRWZJKG-UHFFFAOYSA-N
MW434.34 g/mol
LogP2.51
Rot. Bonds4

About N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide

N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide (PubChem CID 2804275) has the molecular formula C12H8F6N4O3S2 and a molecular weight of 434.34 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide
PubChem CID2804275
Molecular FormulaC12H8F6N4O3S2
Molecular Weight434.34 g/mol
Exact Mass433.99
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F6N4O3S2/c1-5-9(26-21-19-5)10(23)20-22-27(24,25)8-3-6(11(13,14)15)2-7(4-8)12(16,17)18/h2-4,22H,1H3,(H,20,23)
InChIKeySFKUFMXZRWZJKG-UHFFFAOYSA-N
XLogP2.51
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide (CID 2804275) is N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is SFKUFMXZRWZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N4O3S2/c1-5-9(26-21-19-5)10(23)20-22-27(24,25)8-3-6(11(13,14)15)2-7(4-8)12(16,17)18/h2-4,22H,1H3,(H,20,23).
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide?
N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 434.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2804275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).