(Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine

C14H16N2O3S — CID 135925156

IUPAC(Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine
SMILESCCS(=O)(=O)c1ccc(/C(=N/OC)c2ccc[nH]2)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-20(17,18)12-8-6-11(7-9-12)14(16-19-2)13-5-4-10-15-13/h4-10,15H,3H2,1-2H3/b16-14-
InChIKeyYRUGBAHRWXBKAS-PEZBUJJGSA-N
MW292.36 g/mol
LogP2.21
Rot. Bonds5

About (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine

(Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 135925156) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine
PubChem CID135925156
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine
SMILESCCS(=O)(=O)c1ccc(/C(=N/OC)c2ccc[nH]2)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-20(17,18)12-8-6-11(7-9-12)14(16-19-2)13-5-4-10-15-13/h4-10,15H,3H2,1-2H3/b16-14-
InChIKeyYRUGBAHRWXBKAS-PEZBUJJGSA-N
XLogP2.21
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine (CID 135925156) is (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine is CCS(=O)(=O)c1ccc(/C(=N/OC)c2ccc[nH]2)cc1.
What is the InChIKey of (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is YRUGBAHRWXBKAS-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-20(17,18)12-8-6-11(7-9-12)14(16-19-2)13-5-4-10-15-13/h4-10,15H,3H2,1-2H3/b16-14-.
What are the key properties of (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine?
(Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 292.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 135925156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).