2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide

C19H20FN3O4S — CID 2086052

IUPAC2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20FN3O4S/c20-17-7-3-2-6-16(17)19(25)22-21-18(24)14-8-10-15(11-9-14)28(26,27)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-13H2,(H,21,24)(H,22,25)
InChIKeyKCPDQAWHULLNPK-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.08
Rot. Bonds4

About 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide

2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 2086052) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
PubChem CID2086052
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC Name2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20FN3O4S/c20-17-7-3-2-6-16(17)19(25)22-21-18(24)14-8-10-15(11-9-14)28(26,27)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-13H2,(H,21,24)(H,22,25)
InChIKeyKCPDQAWHULLNPK-UHFFFAOYSA-N
XLogP2.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.08
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 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide (CID 2086052) is 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is KCPDQAWHULLNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c20-17-7-3-2-6-16(17)19(25)22-21-18(24)14-8-10-15(11-9-14)28(26,27)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-13H2,(H,21,24)(H,22,25).
What are the key properties of 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 405.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 2086052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).