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

C20H18N4O2S — CID 12002968

IUPAC4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCNc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1
InChIInChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyHVYFTVFIEUKSKZ-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.85
Rot. Bonds6

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

4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 12002968) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID12002968
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCNc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1
InChIInChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyHVYFTVFIEUKSKZ-UHFFFAOYSA-N
XLogP3.85
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide (CID 12002968) is 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide is CCNc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1.
What is the InChIKey of 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is HVYFTVFIEUKSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24).
What are the key properties of 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide?
4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-[6-(ethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 12002968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).