(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide

C17H19NO3S — CID 23240619

IUPAC(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(/C=N/S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-5-7-16(21-4)8-6-15/h5-11H,1-4H3/b18-11+
InChIKeyOBPOLYULWHQIII-WOJGMQOQSA-N
MW317.41 g/mol
LogP3.43
Rot. Bonds4

About (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide

(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 23240619) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
PubChem CID23240619
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(/C=N/S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-5-7-16(21-4)8-6-15/h5-11H,1-4H3/b18-11+
InChIKeyOBPOLYULWHQIII-WOJGMQOQSA-N
XLogP3.43
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[1-(4-methoxyphenyl)ethylidene]-2,4,6-trimethylbenzenesulfonamide
CID 135072677
4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 59234789
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
CID 165176417
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126372670
ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane
CID 138965608
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide (CID 23240619) is (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide is COc1ccc(/C=N/S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is OBPOLYULWHQIII-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-5-7-16(21-4)8-6-15/h5-11H,1-4H3/b18-11+.
What are the key properties of (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 23240619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).