4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

C20H22FN3O7S — CID 2439824

IUPAC4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22FN3O7S/c1-29-16-4-2-3-5-17(16)31-13-19(25)22-23-20(26)14-6-7-15(21)18(12-14)32(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyPUVWCOGXVOOXBT-UHFFFAOYSA-N
MW467.48 g/mol
LogP0.70
Rot. Bonds7

About 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2439824) has the molecular formula C20H22FN3O7S and a molecular weight of 467.48 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2439824
Molecular FormulaC20H22FN3O7S
Molecular Weight467.48 g/mol
Exact Mass467.12
IUPAC Name4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22FN3O7S/c1-29-16-4-2-3-5-17(16)31-13-19(25)22-23-20(26)14-6-7-15(21)18(12-14)32(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyPUVWCOGXVOOXBT-UHFFFAOYSA-N
XLogP0.70
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2545591
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
4-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-N,N-diethylbenzenesulfonamide
CID 4875542
4-[(dimethylamino)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2293105
4-((2,6-dimethylmorpholino)sulfonyl)-N'-(4-methoxybenzoyl)benzohydrazide
CID 4423007
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 4853058
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 4853107
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 16250236
N-[(E)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 16555854
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759
N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24979487

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2439824) is 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is COc1ccccc1OCC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is PUVWCOGXVOOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O7S/c1-29-16-4-2-3-5-17(16)31-13-19(25)22-23-20(26)14-6-7-15(21)18(12-14)32(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 467.48 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2439824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).