N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide

C17H20N2O4S — CID 42637600

IUPACN-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide
SMILESCCN(/C=N/S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-19(14-5-7-15(22-2)8-6-14)13-18-24(20,21)17-11-9-16(23-3)10-12-17/h5-13H,4H2,1-3H3/b18-13+
InChIKeyXACJSDHOYQXGJZ-QGOAFFKASA-N
MW348.42 g/mol
LogP2.95
Rot. Bonds7

About N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide

N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide (PubChem CID 42637600) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide
PubChem CID42637600
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide
SMILESCCN(/C=N/S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-19(14-5-7-15(22-2)8-6-14)13-18-24(20,21)17-11-9-16(23-3)10-12-17/h5-13H,4H2,1-3H3/b18-13+
InChIKeyXACJSDHOYQXGJZ-QGOAFFKASA-N
XLogP2.95
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide (CID 42637600) is N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide is CCN(/C=N/S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide?
The InChIKey is XACJSDHOYQXGJZ-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-19(14-5-7-15(22-2)8-6-14)13-18-24(20,21)17-11-9-16(23-3)10-12-17/h5-13H,4H2,1-3H3/b18-13+.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide?
N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide has a molecular weight of 348.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide is sourced from PubChem (CID 42637600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).