N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide

C20H16FNO4S — CID 46892357

IUPACN-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide
SMILESCc1ccc(S(=O)(=O)Oc2ccc(/C=[N+](\[O-])c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H16FNO4S/c1-15-2-12-20(13-3-15)27(24,25)26-19-10-4-16(5-11-19)14-22(23)18-8-6-17(21)7-9-18/h2-14H,1H3/b22-14-
InChIKeyAGGQSOFPKBHCPN-HMAPJEAMSA-N
MW385.42 g/mol
LogP4.16
Rot. Bonds5

About N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide

N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide (PubChem CID 46892357) has the molecular formula C20H16FNO4S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide
PubChem CID46892357
Molecular FormulaC20H16FNO4S
Molecular Weight385.42 g/mol
Exact Mass385.08
IUPAC NameN-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide
SMILESCc1ccc(S(=O)(=O)Oc2ccc(/C=[N+](\[O-])c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H16FNO4S/c1-15-2-12-20(13-3-15)27(24,25)26-19-10-4-16(5-11-19)14-22(23)18-8-6-17(21)7-9-18/h2-14H,1H3/b22-14-
InChIKeyAGGQSOFPKBHCPN-HMAPJEAMSA-N
XLogP4.16
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide
CID 124926421
N,1-bis(4-methylphenyl)methanimine oxide
CID 85439147
N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide
CID 46892229
[4-[(Z)-[3-(4-fluorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 139254271
(4-methylsulfonylphenyl) 4-methylbenzenesulfonate
CID 20811037
N-(4-fluorophenyl)-1-(4-phenylphenyl)methanimine oxide
CID 11833175
1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide
CID 88775122
[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl] 4-fluorobenzenesulfonate
CID 175271068
sodium;hydride;4-(4-methylphenyl)sulfonyloxybenzenesulfonic acid
CID 173121186
[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzenesulfonate
CID 2277072
[4-[(2,5-dimethylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126220484
[bis(4-fluorophenyl)-(4-methoxyphenyl)-λ4-sulfanyl] 4-methylbenzenesulfonate
CID 139997928

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide?
The IUPAC name of N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide (CID 46892357) is N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide?
The canonical SMILES for N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide is Cc1ccc(S(=O)(=O)Oc2ccc(/C=[N+](\[O-])c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide?
The InChIKey is AGGQSOFPKBHCPN-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H16FNO4S/c1-15-2-12-20(13-3-15)27(24,25)26-19-10-4-16(5-11-19)14-22(23)18-8-6-17(21)7-9-18/h2-14H,1H3/b22-14-.
What are the key properties of N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide?
N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide has a molecular weight of 385.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide is sourced from PubChem (CID 46892357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).