4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide

C22H20N2O3S — CID 2536387

IUPAC4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1
InChIInChI=1S/C22H20N2O3S/c1-2-24(20-10-4-3-5-11-20)28(25,26)22-14-12-21(13-15-22)27-17-19-9-7-6-8-18(19)16-23/h3-15H,2,17H2,1H3
InChIKeyRWUHRYNJYLETMH-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.35
Rot. Bonds7

About 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide

4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide (PubChem CID 2536387) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide
PubChem CID2536387
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1
InChIInChI=1S/C22H20N2O3S/c1-2-24(20-10-4-3-5-11-20)28(25,26)22-14-12-21(13-15-22)27-17-19-9-7-6-8-18(19)16-23/h3-15H,2,17H2,1H3
InChIKeyRWUHRYNJYLETMH-UHFFFAOYSA-N
XLogP4.35
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
4-(3-chloro-2-cyanophenoxy)-N-ethyl-N-phenylbenzenesulfonamide
CID 3716205
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
[2-(2-cyanoanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2497071
2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-pentan-3-ylacetamide
CID 7613163
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
2-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185658
N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 78872335

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide (CID 2536387) is 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1.
What is the InChIKey of 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide?
The InChIKey is RWUHRYNJYLETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-2-24(20-10-4-3-5-11-20)28(25,26)22-14-12-21(13-15-22)27-17-19-9-7-6-8-18(19)16-23/h3-15H,2,17H2,1H3.
What are the key properties of 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide?
4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2536387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).