4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide

C20H18N4O2S — CID 44583233

IUPAC4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1
InChIInChI=1S/C20H18N4O2S/c1-24(2)20-5-3-4-19(22-20)23-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,1-2H3,(H,22,23)
InChIKeyWTOCKYBLKDBFDB-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.49
Rot. Bonds5

About 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide

4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 44583233) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID44583233
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1
InChIInChI=1S/C20H18N4O2S/c1-24(2)20-5-3-4-19(22-20)23-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,1-2H3,(H,22,23)
InChIKeyWTOCKYBLKDBFDB-UHFFFAOYSA-N
XLogP3.49
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide (CID 44583233) is 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide is CN(C)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1.
What is the InChIKey of 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is WTOCKYBLKDBFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24(2)20-5-3-4-19(22-20)23-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,1-2H3,(H,22,23).
What are the key properties of 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 44583233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).