N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide

C17H20N2O5S — CID 135647727

IUPACN-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1O
InChIInChI=1S/C17H20N2O5S/c1-4-14(13-7-5-6-8-15(13)20)18-19-25(21,22)17-11-12(23-2)9-10-16(17)24-3/h5-11,19-20H,4H2,1-3H3/b18-14-
InChIKeyXFSOVFKFPLIYTJ-JXAWBTAJSA-N
MW364.42 g/mol
LogP2.50
Rot. Bonds7

About N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide

N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide (PubChem CID 135647727) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
PubChem CID135647727
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1O
InChIInChI=1S/C17H20N2O5S/c1-4-14(13-7-5-6-8-15(13)20)18-19-25(21,22)17-11-12(23-2)9-10-16(17)24-3/h5-11,19-20H,4H2,1-3H3/b18-14-
InChIKeyXFSOVFKFPLIYTJ-JXAWBTAJSA-N
XLogP2.50
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide
CID 135589157
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647669
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812
2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516552
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide
CID 135958056
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide
CID 135958231

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide (CID 135647727) is N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide is CC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1O.
What is the InChIKey of N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is XFSOVFKFPLIYTJ-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-4-14(13-7-5-6-8-15(13)20)18-19-25(21,22)17-11-12(23-2)9-10-16(17)24-3/h5-11,19-20H,4H2,1-3H3/b18-14-.
What are the key properties of N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide?
N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 364.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 135647727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).