N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine

C20H17NO2S — CID 135051736

IUPACN-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine
SMILESO=S(=O)(Cc1ccccc1/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2S/c22-24(23,19-12-5-2-6-13-19)16-18-11-7-8-14-20(18)21-15-17-9-3-1-4-10-17/h1-15H,16H2/b21-15+
InChIKeyDHQORDAAAQGYJU-RCCKNPSSSA-N
MW335.43 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine

N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine (PubChem CID 135051736) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine
PubChem CID135051736
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC NameN-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine
SMILESO=S(=O)(Cc1ccccc1/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2S/c22-24(23,19-12-5-2-6-13-19)16-18-11-7-8-14-20(18)21-15-17-9-3-1-4-10-17/h1-15H,16H2/b21-15+
InChIKeyDHQORDAAAQGYJU-RCCKNPSSSA-N
XLogP4.41
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine (CID 135051736) is N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine is O=S(=O)(Cc1ccccc1/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine?
The InChIKey is DHQORDAAAQGYJU-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H17NO2S/c22-24(23,19-12-5-2-6-13-19)16-18-11-7-8-14-20(18)21-15-17-9-3-1-4-10-17/h1-15H,16H2/b21-15+.
What are the key properties of N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine?
N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine has a molecular weight of 335.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonylmethyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 135051736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).