4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide

C22H22N2O3S — CID 118736322

IUPAC4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H2,23,25,26)/b24-16+
InChIKeyHDRISRPDTWYNRE-LFVJCYFKSA-N
MW394.50 g/mol
LogP3.57
Rot. Bonds8

About 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 118736322) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID118736322
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H2,23,25,26)/b24-16+
InChIKeyHDRISRPDTWYNRE-LFVJCYFKSA-N
XLogP3.57
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 118736322) is 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is HDRISRPDTWYNRE-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H22N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H2,23,25,26)/b24-16+.
What are the key properties of 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-phenylmethoxyphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118736322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).