4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide

C21H20N2O2S — CID 1369808

IUPAC4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide
SMILESCc1ccc(/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-7-11-19(12-8-16)22-15-18-5-3-4-6-21(18)23-26(24,25)20-13-9-17(2)10-14-20/h3-15,23H,1-2H3/b22-15+
InChIKeyPTBJBEMSRKEAPH-PXLXIMEGSA-N
MW364.47 g/mol
LogP4.85
Rot. Bonds5

About 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide (PubChem CID 1369808) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide
PubChem CID1369808
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide
SMILESCc1ccc(/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-7-11-19(12-8-16)22-15-18-5-3-4-6-21(18)23-26(24,25)20-13-9-17(2)10-14-20/h3-15,23H,1-2H3/b22-15+
InChIKeyPTBJBEMSRKEAPH-PXLXIMEGSA-N
XLogP4.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.85
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 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide (CID 1369808) is 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide is Cc1ccc(/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide?
The InChIKey is PTBJBEMSRKEAPH-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-16-7-11-19(12-8-16)22-15-18-5-3-4-6-21(18)23-26(24,25)20-13-9-17(2)10-14-20/h3-15,23H,1-2H3/b22-15+.
What are the key properties of 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 1369808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).