4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide

C19H20FN3O6S — CID 2528547

IUPAC4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H20FN3O6S/c1-28-15-5-2-13(3-6-15)18(24)21-22-19(25)14-4-7-16(20)17(12-14)30(26,27)23-8-10-29-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyQTNOKSCFDGCEOR-UHFFFAOYSA-N
MW437.45 g/mol
LogP0.93
Rot. Bonds5

About 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2528547) has the molecular formula C19H20FN3O6S and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2528547
Molecular FormulaC19H20FN3O6S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H20FN3O6S/c1-28-15-5-2-13(3-6-15)18(24)21-22-19(25)14-4-7-16(20)17(12-14)30(26,27)23-8-10-29-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyQTNOKSCFDGCEOR-UHFFFAOYSA-N
XLogP0.93
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 50.93
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'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528605
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
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide
CID 789969
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 1107083
[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2494767
4-((2,6-dimethylmorpholino)sulfonyl)-N'-(4-methoxybenzoyl)benzohydrazide
CID 4423007
3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide
CID 5025592
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6900339
[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16249990
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2528547) is 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is QTNOKSCFDGCEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O6S/c1-28-15-5-2-13(3-6-15)18(24)21-22-19(25)14-4-7-16(20)17(12-14)30(26,27)23-8-10-29-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 437.45 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2528547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).