N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide

C21H20N2O2S — CID 10861434

IUPACN-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-11-13-20(14-12-17)26(24,25)23-21-10-6-5-9-19(21)16-22-15-18-7-3-2-4-8-18/h2-14,16,23H,15H2,1H3/b22-16+
InChIKeyFWUMSBAQXOWXKK-CJLVFECKSA-N
MW364.47 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide

N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 10861434) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID10861434
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-11-13-20(14-12-17)26(24,25)23-21-10-6-5-9-19(21)16-22-15-18-7-3-2-4-8-18/h2-14,16,23H,15H2,1H3/b22-16+
InChIKeyFWUMSBAQXOWXKK-CJLVFECKSA-N
XLogP4.41
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
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-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide (CID 10861434) is N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is FWUMSBAQXOWXKK-CJLVFECKSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-17-11-13-20(14-12-17)26(24,25)23-21-10-6-5-9-19(21)16-22-15-18-7-3-2-4-8-18/h2-14,16,23H,15H2,1H3/b22-16+.
What are the key properties of N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzyliminomethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10861434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).