N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide

C21H19N3O3S — CID 112989912

IUPACN-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3C#N)cc2)cc1
InChIInChI=1S/C21H19N3O3S/c1-2-27-19-11-13-20(14-12-19)28(25,26)24-18-9-7-17(8-10-18)23-21-6-4-3-5-16(21)15-22/h3-14,23-24H,2H2,1H3
InChIKeyGAMVRSONPQZHQF-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.50
Rot. Bonds7

About N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide

N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide (PubChem CID 112989912) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide
PubChem CID112989912
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3C#N)cc2)cc1
InChIInChI=1S/C21H19N3O3S/c1-2-27-19-11-13-20(14-12-19)28(25,26)24-18-9-7-17(8-10-18)23-21-6-4-3-5-16(21)15-22/h3-14,23-24H,2H2,1H3
InChIKeyGAMVRSONPQZHQF-UHFFFAOYSA-N
XLogP4.50
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
N-[4-(2-cyanoanilino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112989896
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129535
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide (CID 112989912) is N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3C#N)cc2)cc1.
What is the InChIKey of N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide?
The InChIKey is GAMVRSONPQZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-2-27-19-11-13-20(14-12-19)28(25,26)24-18-9-7-17(8-10-18)23-21-6-4-3-5-16(21)15-22/h3-14,23-24H,2H2,1H3.
What are the key properties of N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide?
N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 112989912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).