4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide

C20H21F2N3O6S — CID 24816759

IUPAC4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H21F2N3O6S/c1-13(31-17-5-3-2-4-15(17)21)19(26)23-24-20(27)14-6-7-16(22)18(12-14)32(28,29)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyYKLJMDVAQJAKSC-UHFFFAOYSA-N
MW469.47 g/mol
LogP1.21
Rot. Bonds6

About 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide

4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 24816759) has the molecular formula C20H21F2N3O6S and a molecular weight of 469.47 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID24816759
Molecular FormulaC20H21F2N3O6S
Molecular Weight469.47 g/mol
Exact Mass469.11
IUPAC Name4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H21F2N3O6S/c1-13(31-17-5-3-2-4-15(17)21)19(26)23-24-20(27)14-6-7-16(22)18(12-14)32(28,29)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyYKLJMDVAQJAKSC-UHFFFAOYSA-N
XLogP1.21
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
(1-oxo-1-phenylpropan-2-yl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16578086
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
CID 25387230
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 8778499
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 7694523
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide (CID 24816759) is 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is YKLJMDVAQJAKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O6S/c1-13(31-17-5-3-2-4-15(17)21)19(26)23-24-20(27)14-6-7-16(22)18(12-14)32(28,29)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 469.47 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 24816759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).