N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide

C17H20N2O3S — CID 5348286

IUPACN-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-17(14-7-9-15(22-3)10-8-14)18-19-23(20,21)16-11-5-13(2)6-12-16/h5-12,19H,4H2,1-3H3/b18-17+
InChIKeyDJQLNQZGMGAODV-ISLYRVAYSA-N
MW332.43 g/mol
LogP3.10
Rot. Bonds6

About N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide

N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide (PubChem CID 5348286) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide
PubChem CID5348286
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-17(14-7-9-15(22-3)10-8-14)18-19-23(20,21)16-11-5-13(2)6-12-16/h5-12,19H,4H2,1-3H3/b18-17+
InChIKeyDJQLNQZGMGAODV-ISLYRVAYSA-N
XLogP3.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide (CID 5348286) is N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide is CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is DJQLNQZGMGAODV-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-17(14-7-9-15(22-3)10-8-14)18-19-23(20,21)16-11-5-13(2)6-12-16/h5-12,19H,4H2,1-3H3/b18-17+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)propylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5348286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).