4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

C15H12F4N4O6S — CID 3952530

IUPAC4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12F4N4O6S/c16-14(17)28-9-2-1-8(13(5-9)29-15(18)19)7-21-22-11-4-3-10(30(20,26)27)6-12(11)23(24)25/h1-7,14-15,22H,(H2,20,26,27)
InChIKeyBKVIRSYZDWUULO-UHFFFAOYSA-N
MW452.34 g/mol
LogP2.89
Rot. Bonds9

About 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 3952530) has the molecular formula C15H12F4N4O6S and a molecular weight of 452.34 g/mol. Its IUPAC name is 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID3952530
Molecular FormulaC15H12F4N4O6S
Molecular Weight452.34 g/mol
Exact Mass452.04
IUPAC Name4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12F4N4O6S/c16-14(17)28-9-2-1-8(13(5-9)29-15(18)19)7-21-22-11-4-3-10(30(20,26)27)6-12(11)23(24)25/h1-7,14-15,22H,(H2,20,26,27)
InChIKeyBKVIRSYZDWUULO-UHFFFAOYSA-N
XLogP2.89
TPSA146.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide 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-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide (CID 3952530) is 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(NN=Cc2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is BKVIRSYZDWUULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O6S/c16-14(17)28-9-2-1-8(13(5-9)29-15(18)19)7-21-22-11-4-3-10(30(20,26)27)6-12(11)23(24)25/h1-7,14-15,22H,(H2,20,26,27).
What are the key properties of 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 452.34 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 3952530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).