4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide

C20H18N2O3S — CID 1377410

IUPAC4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+
InChIKeyRYYKDXCWLZFTCU-HYARGMPZSA-N
MW366.44 g/mol
LogP3.66
Rot. Bonds6

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

4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 1377410) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID1377410
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+
InChIKeyRYYKDXCWLZFTCU-HYARGMPZSA-N
XLogP3.66
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.66
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-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (CID 1377410) is 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is RYYKDXCWLZFTCU-HYARGMPZSA-N. The full InChI is InChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+.
What are the key properties of 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1377410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).