N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide

C22H20N2O3S — CID 122184587

IUPACN-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(c1ccccc1-c1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H20N2O3S/c1-3-24(28(25,26)20-14-12-19(27-2)13-15-20)22-7-5-4-6-21(22)18-10-8-17(16-23)9-11-18/h4-15H,3H2,1-2H3
InChIKeyQBSRCZDIBDSURV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.45
Rot. Bonds6

About N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide

N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 122184587) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID122184587
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(c1ccccc1-c1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H20N2O3S/c1-3-24(28(25,26)20-14-12-19(27-2)13-15-20)22-7-5-4-6-21(22)18-10-8-17(16-23)9-11-18/h4-15H,3H2,1-2H3
InChIKeyQBSRCZDIBDSURV-UHFFFAOYSA-N
XLogP4.45
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide (CID 122184587) is N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide is CCN(c1ccccc1-c1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is QBSRCZDIBDSURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-3-24(28(25,26)20-14-12-19(27-2)13-15-20)22-7-5-4-6-21(22)18-10-8-17(16-23)9-11-18/h4-15H,3H2,1-2H3.
What are the key properties of N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide?
N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122184587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).