2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide

C15H14FN3O4S — CID 6064390

IUPAC2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O4S/c16-12-3-7-14(8-4-12)24(21,22)19-18-9-11-1-5-13(6-2-11)23-10-15(17)20/h1-9,19H,10H2,(H2,17,20)/b18-9-
InChIKeyHVSRLBDRNYPVAX-NVMNQCDNSA-N
MW351.36 g/mol
LogP1.00
Rot. Bonds7

About 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide

2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 6064390) has the molecular formula C15H14FN3O4S and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
PubChem CID6064390
Molecular FormulaC15H14FN3O4S
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC Name2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O4S/c16-12-3-7-14(8-4-12)24(21,22)19-18-9-11-1-5-13(6-2-11)23-10-15(17)20/h1-9,19H,10H2,(H2,17,20)/b18-9-
InChIKeyHVSRLBDRNYPVAX-NVMNQCDNSA-N
XLogP1.00
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
CID 27521411
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzenesulfonamide
CID 17338070
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 136873420
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9076234
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
CID 17338078
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide (CID 6064390) is 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide is NC(=O)COc1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is HVSRLBDRNYPVAX-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H14FN3O4S/c16-12-3-7-14(8-4-12)24(21,22)19-18-9-11-1-5-13(6-2-11)23-10-15(17)20/h1-9,19H,10H2,(H2,17,20)/b18-9-.
What are the key properties of 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 351.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 6064390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).