1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide

C16H12Cl2N2O3S — CID 68940089

IUPAC1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C#N)=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H12Cl2N2O3S/c1-23-13-5-3-12(4-6-13)20-24(21,22)14(10-19)8-11-2-7-15(17)16(18)9-11/h2-9,20H,1H3
InChIKeyLQDRWEFSIFJFHN-UHFFFAOYSA-N
MW383.26 g/mol
LogP4.31
Rot. Bonds5

About 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide

1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide (PubChem CID 68940089) has the molecular formula C16H12Cl2N2O3S and a molecular weight of 383.26 g/mol. Its IUPAC name is 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide
PubChem CID68940089
Molecular FormulaC16H12Cl2N2O3S
Molecular Weight383.26 g/mol
Exact Mass381.99
IUPAC Name1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C#N)=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H12Cl2N2O3S/c1-23-13-5-3-12(4-6-13)20-24(21,22)14(10-19)8-11-2-7-15(17)16(18)9-11/h2-9,20H,1H3
InChIKeyLQDRWEFSIFJFHN-UHFFFAOYSA-N
XLogP4.31
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-cyano-2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68942999
2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 68944818
(E)-2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 25052714
(Z)-1-cyano-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68941943
1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68946474
1-cyano-N-(4-methoxyphenyl)-2-methylsulfanylethenesulfonamide
CID 68947212
(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 25052637
(E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide
CID 25052658
3-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
CID 54472318
1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene
CID 23508390
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The IUPAC name of 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide (CID 68940089) is 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide.
What is the SMILES notation for 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The canonical SMILES for 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide is COc1ccc(NS(=O)(=O)C(C#N)=Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The InChIKey is LQDRWEFSIFJFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3S/c1-23-13-5-3-12(4-6-13)20-24(21,22)14(10-19)8-11-2-7-15(17)16(18)9-11/h2-9,20H,1H3.
What are the key properties of 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide has a molecular weight of 383.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 68940089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).