(2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid

C15H18ClNO5S — CID 86620910

IUPAC(2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
SMILESCS(=O)(=O)c1ccc(/C(=N/OC2CCCCC2)C(=O)O)cc1Cl
InChIInChI=1S/C15H18ClNO5S/c1-23(20,21)13-8-7-10(9-12(13)16)14(15(18)19)17-22-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,18,19)/b17-14-
InChIKeyJPSNOAJJVOCLIM-VKAVYKQESA-N
MW359.83 g/mol
LogP2.88
Rot. Bonds5

About (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid

(2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid (PubChem CID 86620910) has the molecular formula C15H18ClNO5S and a molecular weight of 359.83 g/mol. Its IUPAC name is (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
PubChem CID86620910
Molecular FormulaC15H18ClNO5S
Molecular Weight359.83 g/mol
Exact Mass359.06
IUPAC Name(2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
SMILESCS(=O)(=O)c1ccc(/C(=N/OC2CCCCC2)C(=O)O)cc1Cl
InChIInChI=1S/C15H18ClNO5S/c1-23(20,21)13-8-7-10(9-12(13)16)14(15(18)19)17-22-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,18,19)/b17-14-
InChIKeyJPSNOAJJVOCLIM-VKAVYKQESA-N
XLogP2.88
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid?
The IUPAC name of (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid (CID 86620910) is (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid is CS(=O)(=O)c1ccc(/C(=N/OC2CCCCC2)C(=O)O)cc1Cl.
What is the InChIKey of (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid?
The InChIKey is JPSNOAJJVOCLIM-VKAVYKQESA-N. The full InChI is InChI=1S/C15H18ClNO5S/c1-23(20,21)13-8-7-10(9-12(13)16)14(15(18)19)17-22-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,18,19)/b17-14-.
What are the key properties of (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid?
(2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid has a molecular weight of 359.83 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid is sourced from PubChem (CID 86620910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).