N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide

C16H19FN2O2S — CID 3761651

IUPACN'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide
SMILESCC(C)(C)N(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H19FN2O2S/c1-16(2,3)19(14-7-5-4-6-8-14)18-22(20,21)15-11-9-13(17)10-12-15/h4-12,18H,1-3H3
InChIKeyPUNDKAALCDHWFT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.32
Rot. Bonds4

About N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide

N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide (PubChem CID 3761651) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide
PubChem CID3761651
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide
SMILESCC(C)(C)N(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H19FN2O2S/c1-16(2,3)19(14-7-5-4-6-8-14)18-22(20,21)15-11-9-13(17)10-12-15/h4-12,18H,1-3H3
InChIKeyPUNDKAALCDHWFT-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide 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'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide?
The IUPAC name of N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide (CID 3761651) is N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide.
What is the SMILES notation for N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide?
The canonical SMILES for N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide is CC(C)(C)N(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide?
The InChIKey is PUNDKAALCDHWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-16(2,3)19(14-7-5-4-6-8-14)18-22(20,21)15-11-9-13(17)10-12-15/h4-12,18H,1-3H3.
What are the key properties of N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide?
N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide has a molecular weight of 322.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-fluoro-N'-phenylbenzenesulfonohydrazide is sourced from PubChem (CID 3761651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).