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

C17H14Cl2N2O2S — CID 25052658

IUPAC(E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide
SMILESCc1ccc(NS(=O)(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H14Cl2N2O2S/c1-11-3-6-17(12(2)7-11)21-24(22,23)14(10-20)8-13-4-5-15(18)16(19)9-13/h3-9,21H,1-2H3/b14-8+
InChIKeyPINCULLRKDRWIA-RIYZIHGNSA-N
MW381.28 g/mol
LogP4.92
Rot. Bonds4

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

(E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide (PubChem CID 25052658) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide
PubChem CID25052658
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC Name(E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide
SMILESCc1ccc(NS(=O)(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H14Cl2N2O2S/c1-11-3-6-17(12(2)7-11)21-24(22,23)14(10-20)8-13-4-5-15(18)16(19)9-13/h3-9,21H,1-2H3/b14-8+
InChIKeyPINCULLRKDRWIA-RIYZIHGNSA-N
XLogP4.92
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-cyano-N-(2,4-dimethylphenyl)-2-(2,3,5-trichlorophenyl)ethenesulfonamide
CID 68946526
1-cyano-2-[4-(dimethylamino)phenyl]-N-(2,4-dimethylphenyl)ethenesulfonamide
CID 68941596
1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68940089
(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide
CID 25052640
(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 25052637
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2270893
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)prop-2-enamide
CID 108821755
(Z)-3-(4-chlorophenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2359124
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(2,5-dichlorophenyl)sulfonylprop-2-enenitrile
CID 52771899
(E)-3-(3-methylphenyl)-2-methylsulfonylprop-2-enenitrile
CID 8828339
2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
CID 4089006
4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2-nitrophenolate
CID 7971724

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide?
The IUPAC name of (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide (CID 25052658) is (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide is Cc1ccc(NS(=O)(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide?
The InChIKey is PINCULLRKDRWIA-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c1-11-3-6-17(12(2)7-11)21-24(22,23)14(10-20)8-13-4-5-15(18)16(19)9-13/h3-9,21H,1-2H3/b14-8+.
What are the key properties of (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide?
(E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide has a molecular weight of 381.28 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 25052658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).