4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide

C21H20N2O3S — CID 5334654

IUPAC4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-17-7-13-21(14-8-17)27(24,25)23-22-15-18-9-11-20(12-10-18)26-16-19-5-3-2-4-6-19/h2-15,23H,16H2,1H3/b22-15+
InChIKeyJSNIKQICXLOQAX-PXLXIMEGSA-N
MW380.47 g/mol
LogP3.89
Rot. Bonds7

About 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 5334654) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID5334654
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-17-7-13-21(14-8-17)27(24,25)23-22-15-18-9-11-20(12-10-18)26-16-19-5-3-2-4-6-19/h2-15,23H,16H2,1H3/b22-15+
InChIKeyJSNIKQICXLOQAX-PXLXIMEGSA-N
XLogP3.89
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.89
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 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (CID 5334654) is 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is JSNIKQICXLOQAX-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-17-7-13-21(14-8-17)27(24,25)23-22-15-18-9-11-20(12-10-18)26-16-19-5-3-2-4-6-19/h2-15,23H,16H2,1H3/b22-15+.
What are the key properties of 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5334654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).