(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide

C21H17Cl2NO4S — CID 110518689

IUPAC(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl2NO4S/c1-27-21-12-15(13-24-29(25,26)17-5-3-2-4-6-17)8-10-20(21)28-14-16-7-9-18(22)19(23)11-16/h2-13H,14H2,1H3/b24-13-
InChIKeyMMRQGRBPWFCCST-CFRMEGHHSA-N
MW450.34 g/mol
LogP5.39
Rot. Bonds7

About (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide

(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide (PubChem CID 110518689) has the molecular formula C21H17Cl2NO4S and a molecular weight of 450.34 g/mol. Its IUPAC name is (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide
PubChem CID110518689
Molecular FormulaC21H17Cl2NO4S
Molecular Weight450.34 g/mol
Exact Mass449.03
IUPAC Name(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl2NO4S/c1-27-21-12-15(13-24-29(25,26)17-5-3-2-4-6-17)8-10-20(21)28-14-16-7-9-18(22)19(23)11-16/h2-13H,14H2,1H3/b24-13-
InChIKeyMMRQGRBPWFCCST-CFRMEGHHSA-N
XLogP5.39
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245961
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515524
2-[2-[[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110841250
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126041904
(E)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 6092087
2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide
CID 22643338
2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126058298
4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3515294

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide (CID 110518689) is (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide is COc1cc(/C=N\S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide?
The InChIKey is MMRQGRBPWFCCST-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H17Cl2NO4S/c1-27-21-12-15(13-24-29(25,26)17-5-3-2-4-6-17)8-10-20(21)28-14-16-7-9-18(22)19(23)11-16/h2-13H,14H2,1H3/b24-13-.
What are the key properties of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide?
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide has a molecular weight of 450.34 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide is sourced from PubChem (CID 110518689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).