N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide

C25H22N2O4S — CID 1365160

IUPACN-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)o1)c1ccccc1
InChIInChI=1S/C25H22N2O4S/c28-32(29,25-9-5-2-6-10-25)27-18-24-16-15-23(31-24)17-26-21-11-13-22(14-12-21)30-19-20-7-3-1-4-8-20/h1-17,27H,18-19H2/b26-17+
InChIKeyWLVBHWBEGVDVHV-YZSQISJMSA-N
MW446.53 g/mol
LogP5.09
Rot. Bonds9

About N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide

N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide (PubChem CID 1365160) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide
PubChem CID1365160
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC NameN-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)o1)c1ccccc1
InChIInChI=1S/C25H22N2O4S/c28-32(29,25-9-5-2-6-10-25)27-18-24-16-15-23(31-24)17-26-21-11-13-22(14-12-21)30-19-20-7-3-1-4-8-20/h1-17,27H,18-19H2/b26-17+
InChIKeyWLVBHWBEGVDVHV-YZSQISJMSA-N
XLogP5.09
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide (CID 1365160) is N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)o1)c1ccccc1.
What is the InChIKey of N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is WLVBHWBEGVDVHV-YZSQISJMSA-N. The full InChI is InChI=1S/C25H22N2O4S/c28-32(29,25-9-5-2-6-10-25)27-18-24-16-15-23(31-24)17-26-21-11-13-22(14-12-21)30-19-20-7-3-1-4-8-20/h1-17,27H,18-19H2/b26-17+.
What are the key properties of N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-phenylmethoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1365160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).