N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C15H15F3N4O3S — CID 126507018

IUPACN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NN)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N4O3S/c1-26(24,25)22(13-4-2-3-11(7-13)15(16,17)18)9-12-6-5-10(8-20-12)14(23)21-19/h2-8H,9,19H2,1H3,(H,21,23)
InChIKeyXCELJXGVKPZPLF-UHFFFAOYSA-N
MW388.37 g/mol
LogP1.67
Rot. Bonds5

About N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 126507018) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID126507018
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NN)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N4O3S/c1-26(24,25)22(13-4-2-3-11(7-13)15(16,17)18)9-12-6-5-10(8-20-12)14(23)21-19/h2-8H,9,19H2,1H3,(H,21,23)
InChIKeyXCELJXGVKPZPLF-UHFFFAOYSA-N
XLogP1.67
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide 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-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 126507018) is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc(C(=O)NN)cn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is XCELJXGVKPZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c1-26(24,25)22(13-4-2-3-11(7-13)15(16,17)18)9-12-6-5-10(8-20-12)14(23)21-19/h2-8H,9,19H2,1H3,(H,21,23).
What are the key properties of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 388.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 126507018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).