4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide

C18H17F3N6O4S2 — CID 24957163

IUPAC4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C18H17F3N6O4S2/c1-32(28,29)12-6-4-11(5-7-12)15-14(16(26-22)25-17(24-15)18(19,20)21)10-2-8-13(9-3-10)33(30,31)27-23/h2-9,27H,22-23H2,1H3,(H,24,25,26)
InChIKeyJDNPNOYABZWDJQ-UHFFFAOYSA-N
MW502.50 g/mol
LogP1.67
Rot. Bonds6

About 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide

4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide (PubChem CID 24957163) has the molecular formula C18H17F3N6O4S2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide
PubChem CID24957163
Molecular FormulaC18H17F3N6O4S2
Molecular Weight502.50 g/mol
Exact Mass502.07
IUPAC Name4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C18H17F3N6O4S2/c1-32(28,29)12-6-4-11(5-7-12)15-14(16(26-22)25-17(24-15)18(19,20)21)10-2-8-13(9-3-10)33(30,31)27-23/h2-9,27H,22-23H2,1H3,(H,24,25,26)
InChIKeyJDNPNOYABZWDJQ-UHFFFAOYSA-N
XLogP1.67
TPSA170.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide 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 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide?
The IUPAC name of 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide (CID 24957163) is 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide.
What is the SMILES notation for 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide?
The canonical SMILES for 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(S(=O)(=O)NN)cc2)cc1.
What is the InChIKey of 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide?
The InChIKey is JDNPNOYABZWDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O4S2/c1-32(28,29)12-6-4-11(5-7-12)15-14(16(26-22)25-17(24-15)18(19,20)21)10-2-8-13(9-3-10)33(30,31)27-23/h2-9,27H,22-23H2,1H3,(H,24,25,26).
What are the key properties of 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide?
4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide has a molecular weight of 502.50 g/mol, XLogP of 1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydrazinyl-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonohydrazide is sourced from PubChem (CID 24957163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).