N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide

C22H22N2O4S — CID 6374670

IUPACN-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(OC/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-17-8-14-21(15-9-17)29(25,26)24-23-22(18-6-4-3-5-7-18)16-28-20-12-10-19(27-2)11-13-20/h3-15,24H,16H2,1-2H3/b23-22+
InChIKeyIXYGALMRFIBIRU-GHVJWSGMSA-N
MW410.50 g/mol
LogP3.77
Rot. Bonds8

About N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide

N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 6374670) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
PubChem CID6374670
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(OC/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-17-8-14-21(15-9-17)29(25,26)24-23-22(18-6-4-3-5-7-18)16-28-20-12-10-19(27-2)11-13-20/h3-15,24H,16H2,1-2H3/b23-22+
InChIKeyIXYGALMRFIBIRU-GHVJWSGMSA-N
XLogP3.77
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
N-[(Z)-[(4-methoxyphenyl)-(4-nonoxyphenyl)methylidene]amino]-4-methylbenzenesulfonamide
CID 6509128
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 3796492
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide (CID 6374670) is N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide is COc1ccc(OC/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is IXYGALMRFIBIRU-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-17-8-14-21(15-9-17)29(25,26)24-23-22(18-6-4-3-5-7-18)16-28-20-12-10-19(27-2)11-13-20/h3-15,24H,16H2,1-2H3/b23-22+.
What are the key properties of N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6374670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).