1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol

C26H24N2OS — CID 132966604

IUPAC1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol
SMILESOC(CS(=Nc1ccccc1)(=Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2OS/c29-26(22-13-5-1-6-14-22)21-30(25-19-11-4-12-20-25,27-23-15-7-2-8-16-23)28-24-17-9-3-10-18-24/h1-20,26,29H,21H2
InChIKeyUBJFEIKPHPXIEN-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.96
Rot. Bonds6

About 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol

1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol (PubChem CID 132966604) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol
PubChem CID132966604
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC Name1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol
SMILESOC(CS(=Nc1ccccc1)(=Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2OS/c29-26(22-13-5-1-6-14-22)21-30(25-19-11-4-12-20-25,27-23-15-7-2-8-16-23)28-24-17-9-3-10-18-24/h1-20,26,29H,21H2
InChIKeyUBJFEIKPHPXIEN-UHFFFAOYSA-N
XLogP6.96
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol?
The IUPAC name of 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol (CID 132966604) is 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol.
What is the SMILES notation for 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol?
The canonical SMILES for 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol is OC(CS(=Nc1ccccc1)(=Nc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol?
The InChIKey is UBJFEIKPHPXIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c29-26(22-13-5-1-6-14-22)21-30(25-19-11-4-12-20-25,27-23-15-7-2-8-16-23)28-24-17-9-3-10-18-24/h1-20,26,29H,21H2.
What are the key properties of 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol?
1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol has a molecular weight of 412.56 g/mol, XLogP of 6.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(N,N',S-triphenylsulfonodiimidoyl)ethanol is sourced from PubChem (CID 132966604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).