N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide

C20H22FN3O7S — CID 43005968

IUPACN'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C20H22FN3O7S/c1-29-17-12-15(32(27,28)24-7-9-31-10-8-24)11-16(18(17)30-2)20(26)23-22-19(25)13-3-5-14(21)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPSIJIWQMOOXQPI-UHFFFAOYSA-N
MW467.48 g/mol
LogP0.94
Rot. Bonds6

About N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide

N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 43005968) has the molecular formula C20H22FN3O7S and a molecular weight of 467.48 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID43005968
Molecular FormulaC20H22FN3O7S
Molecular Weight467.48 g/mol
Exact Mass467.12
IUPAC NameN'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C20H22FN3O7S/c1-29-17-12-15(32(27,28)24-7-9-31-10-8-24)11-16(18(17)30-2)20(26)23-22-19(25)13-3-5-14(21)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPSIJIWQMOOXQPI-UHFFFAOYSA-N
XLogP0.94
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 50.94
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

2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119404990
N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43007086
N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55676114
[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2465865
N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24640878
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2448565
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46478502
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide (CID 43005968) is N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide is COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)c2ccc(F)cc2)c1OC.
What is the InChIKey of N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is PSIJIWQMOOXQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O7S/c1-29-17-12-15(32(27,28)24-7-9-31-10-8-24)11-16(18(17)30-2)20(26)23-22-19(25)13-3-5-14(21)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 467.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 43005968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).