3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide

C17H12F2N4O3S — CID 135298766

IUPAC3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2ncccn2)c1
InChIInChI=1S/C17H12F2N4O3S/c18-13-9-11(16-20-6-3-7-21-16)8-12(10-13)17(24)22-23-27(25,26)15-5-2-1-4-14(15)19/h1-10,23H,(H,22,24)
InChIKeyPLXZVWISMBOZDF-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.05
Rot. Bonds5

About 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide

3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide (PubChem CID 135298766) has the molecular formula C17H12F2N4O3S and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide
PubChem CID135298766
Molecular FormulaC17H12F2N4O3S
Molecular Weight390.37 g/mol
Exact Mass390.06
IUPAC Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2ncccn2)c1
InChIInChI=1S/C17H12F2N4O3S/c18-13-9-11(16-20-6-3-7-21-16)8-12(10-13)17(24)22-23-27(25,26)15-5-2-1-4-14(15)19/h1-10,23H,(H,22,24)
InChIKeyPLXZVWISMBOZDF-UHFFFAOYSA-N
XLogP2.05
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
CID 135298767
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 130431495
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide
CID 135298532
N'-(benzenesulfonyl)-2-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298582
N'-(benzenesulfonyl)-3-methyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298593
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298633
N'-(2-fluorophenyl)sulfonyl-3-pyrimidin-2-ylbenzohydrazide
CID 135298635
N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298765
2,3,4,5,6-Pentafluoro-N-[4-(4-sulfamoyl-phenylamino)-pyrimidin-2-yl]-benzamide
CID 3576817
4-[(pyrimidin-2-ylamino)methyl]-N-[[4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzamide
CID 145964127
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145967990

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide (CID 135298766) is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2ncccn2)c1.
What is the InChIKey of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide?
The InChIKey is PLXZVWISMBOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3S/c18-13-9-11(16-20-6-3-7-21-16)8-12(10-13)17(24)22-23-27(25,26)15-5-2-1-4-14(15)19/h1-10,23H,(H,22,24).
What are the key properties of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide?
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide has a molecular weight of 390.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 135298766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).