2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide

C18H18FN3O6S — CID 71267389

IUPAC2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1O
InChIInChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
InChIKeyZOCYZPMPWSJZNE-UHFFFAOYSA-N
MW423.42 g/mol
LogP0.63
Rot. Bonds4

About 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide

2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 71267389) has the molecular formula C18H18FN3O6S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID71267389
Molecular FormulaC18H18FN3O6S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1O
InChIInChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
InChIKeyZOCYZPMPWSJZNE-UHFFFAOYSA-N
XLogP0.63
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide (CID 71267389) is 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1O.
What is the InChIKey of 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is ZOCYZPMPWSJZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25).
What are the key properties of 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 423.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 71267389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).