1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide

C19H14ClNO4S — CID 124926421

IUPAC1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide
SMILESO=S(=O)(Oc1ccc(/C=[N+](\[O-])c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO4S/c20-16-8-12-19(13-9-16)26(23,24)25-18-10-6-15(7-11-18)14-21(22)17-4-2-1-3-5-17/h1-14H/b21-14-
InChIKeyINKDOTWPWWRMEP-STZFKDTASA-N
MW387.84 g/mol
LogP4.37
Rot. Bonds5

About 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide

1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide (PubChem CID 124926421) has the molecular formula C19H14ClNO4S and a molecular weight of 387.84 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide
PubChem CID124926421
Molecular FormulaC19H14ClNO4S
Molecular Weight387.84 g/mol
Exact Mass387.03
IUPAC Name1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide
SMILESO=S(=O)(Oc1ccc(/C=[N+](\[O-])c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO4S/c20-16-8-12-19(13-9-16)26(23,24)25-18-10-6-15(7-11-18)14-21(22)17-4-2-1-3-5-17/h1-14H/b21-14-
InChIKeyINKDOTWPWWRMEP-STZFKDTASA-N
XLogP4.37
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.37
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'}

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Related Compounds

N-(4-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyloxyphenyl]methanimine oxide
CID 46892357
(4-benzoylphenyl) 4-chlorobenzenesulfonate
CID 7314216
(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
[4-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-nitrobenzenesulfonate
CID 3478562
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide
CID 72947617
[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate
CID 6262781
(4-chlorophenyl) 3,4-diaminobenzenesulfonate
CID 23347917
sodium;hydride;phenyl 4-ethenylbenzenesulfonate
CID 174943153
1-(4-carboxyphenyl)-N-phenylmethanimine oxide
CID 118506239
N-(3-chlorophenyl)-1-phenylmethanimine oxide
CID 12672716
[4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate
CID 137073769
(4-chlorophenyl) 4-(2-chloro-6-nitrophenoxy)benzenesulfonate
CID 2797610

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide (CID 124926421) is 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide is O=S(=O)(Oc1ccc(/C=[N+](\[O-])c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide?
The InChIKey is INKDOTWPWWRMEP-STZFKDTASA-N. The full InChI is InChI=1S/C19H14ClNO4S/c20-16-8-12-19(13-9-16)26(23,24)25-18-10-6-15(7-11-18)14-21(22)17-4-2-1-3-5-17/h1-14H/b21-14-.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide?
1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide has a molecular weight of 387.84 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide is sourced from PubChem (CID 124926421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).