4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide

C17H20N2O3S — CID 135957990

IUPAC4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1ccc(CC)cc1)c1ccccc1O
InChIInChI=1S/C17H20N2O3S/c1-3-13-9-11-14(12-10-13)23(21,22)19-18-16(4-2)15-7-5-6-8-17(15)20/h5-12,19-20H,3-4H2,1-2H3/b18-16+
InChIKeyNEPRFAOETCBCDC-FBMGVBCBSA-N
MW332.43 g/mol
LogP3.05
Rot. Bonds6

About 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide

4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide (PubChem CID 135957990) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
PubChem CID135957990
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1ccc(CC)cc1)c1ccccc1O
InChIInChI=1S/C17H20N2O3S/c1-3-13-9-11-14(12-10-13)23(21,22)19-18-16(4-2)15-7-5-6-8-17(15)20/h5-12,19-20H,3-4H2,1-2H3/b18-16+
InChIKeyNEPRFAOETCBCDC-FBMGVBCBSA-N
XLogP3.05
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 136668780
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide
CID 135958056
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-ethylbenzenesulfonamide
CID 135647665
4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135678808
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647727
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
CID 3340797
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[1-(2-hydroxyphenyl)propylideneamino]-5-methylfuran-2-carboxamide
CID 868759

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide (CID 135957990) is 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide is CC/C(=N\NS(=O)(=O)c1ccc(CC)cc1)c1ccccc1O.
What is the InChIKey of 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The InChIKey is NEPRFAOETCBCDC-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-13-9-11-14(12-10-13)23(21,22)19-18-16(4-2)15-7-5-6-8-17(15)20/h5-12,19-20H,3-4H2,1-2H3/b18-16+.
What are the key properties of 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide is sourced from PubChem (CID 135957990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).