N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide

C14H10F4N2O4S — CID 135298592

IUPACN'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F4N2O4S/c15-11-6-1-2-7-12(11)25(22,23)20-19-13(21)9-4-3-5-10(8-9)24-14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyCSRFSYQFYVIKRJ-UHFFFAOYSA-N
MW378.30 g/mol
LogP2.35
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide (PubChem CID 135298592) has the molecular formula C14H10F4N2O4S and a molecular weight of 378.30 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide
PubChem CID135298592
Molecular FormulaC14H10F4N2O4S
Molecular Weight378.30 g/mol
Exact Mass378.03
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F4N2O4S/c15-11-6-1-2-7-12(11)25(22,23)20-19-13(21)9-4-3-5-10(8-9)24-14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyCSRFSYQFYVIKRJ-UHFFFAOYSA-N
XLogP2.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide (CID 135298592) is N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide?
The InChIKey is CSRFSYQFYVIKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O4S/c15-11-6-1-2-7-12(11)25(22,23)20-19-13(21)9-4-3-5-10(8-9)24-14(16,17)18/h1-8,20H,(H,19,21).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide has a molecular weight of 378.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide is sourced from PubChem (CID 135298592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).