3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide

C17H12ClFN2O2S2 — CID 155393055

IUPAC3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide
SMILESO=C(NNS(=O)c1ccccc1F)c1cc(Cl)cc(-c2cccs2)c1
InChIInChI=1S/C17H12ClFN2O2S2/c18-13-9-11(15-5-3-7-24-15)8-12(10-13)17(22)20-21-25(23)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22)
InChIKeySDDBIYVYTKKZDF-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.16
Rot. Bonds5

About 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide

3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide (PubChem CID 155393055) has the molecular formula C17H12ClFN2O2S2 and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide
PubChem CID155393055
Molecular FormulaC17H12ClFN2O2S2
Molecular Weight394.88 g/mol
Exact Mass394.00
IUPAC Name3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide
SMILESO=C(NNS(=O)c1ccccc1F)c1cc(Cl)cc(-c2cccs2)c1
InChIInChI=1S/C17H12ClFN2O2S2/c18-13-9-11(15-5-3-7-24-15)8-12(10-13)17(22)20-21-25(23)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22)
InChIKeySDDBIYVYTKKZDF-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide?
The IUPAC name of 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide (CID 155393055) is 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide?
The canonical SMILES for 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide is O=C(NNS(=O)c1ccccc1F)c1cc(Cl)cc(-c2cccs2)c1.
What is the InChIKey of 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide?
The InChIKey is SDDBIYVYTKKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S2/c18-13-9-11(15-5-3-7-24-15)8-12(10-13)17(22)20-21-25(23)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22).
What are the key properties of 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide?
3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide has a molecular weight of 394.88 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-fluorophenyl)sulfinyl-5-thiophen-2-ylbenzohydrazide is sourced from PubChem (CID 155393055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).