4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide

C19H19F2N3O4S — CID 55333909

IUPAC4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H19F2N3O4S/c20-15-7-4-13(5-8-15)18(25)22-23-19(26)14-6-9-16(21)17(12-14)29(27,28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,22,25)(H,23,26)
InChIKeyKNXNJXXEJCQWOJ-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.21
Rot. Bonds4

About 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide

4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 55333909) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID55333909
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC Name4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H19F2N3O4S/c20-15-7-4-13(5-8-15)18(25)22-23-19(26)14-6-9-16(21)17(12-14)29(27,28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,22,25)(H,23,26)
InChIKeyKNXNJXXEJCQWOJ-UHFFFAOYSA-N
XLogP2.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.21
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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Related Compounds

4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
4-fluoro-N'-(2-phenylacetyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 26863667
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
N'-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 55597383
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
(3,4-difluorophenyl)-[4-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 55599727
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide (CID 55333909) is 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is KNXNJXXEJCQWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c20-15-7-4-13(5-8-15)18(25)22-23-19(26)14-6-9-16(21)17(12-14)29(27,28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,22,25)(H,23,26).
What are the key properties of 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 423.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 55333909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).