N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide

C11H8F2N2O4S — CID 2551628

IUPACN'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C11H8F2N2O4S/c12-8-4-3-7(6-9(8)13)20(17,18)15-14-11(16)10-2-1-5-19-10/h1-6,15H,(H,14,16)
InChIKeyYLXGLWAPJYNGLP-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.18
Rot. Bonds4

About N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide

N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide (PubChem CID 2551628) has the molecular formula C11H8F2N2O4S and a molecular weight of 302.26 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide
PubChem CID2551628
Molecular FormulaC11H8F2N2O4S
Molecular Weight302.26 g/mol
Exact Mass302.02
IUPAC NameN'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C11H8F2N2O4S/c12-8-4-3-7(6-9(8)13)20(17,18)15-14-11(16)10-2-1-5-19-10/h1-6,15H,(H,14,16)
InChIKeyYLXGLWAPJYNGLP-UHFFFAOYSA-N
XLogP1.18
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3,4-difluorophenyl)sulfonylfuran-2-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'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide?
The IUPAC name of N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide (CID 2551628) is N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccco1.
What is the InChIKey of N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide?
The InChIKey is YLXGLWAPJYNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4S/c12-8-4-3-7(6-9(8)13)20(17,18)15-14-11(16)10-2-1-5-19-10/h1-6,15H,(H,14,16).
What are the key properties of N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide?
N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide has a molecular weight of 302.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)sulfonylfuran-2-carbohydrazide is sourced from PubChem (CID 2551628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).