N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

C20H16FN3O3S — CID 23217938

IUPACN-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C20H16FN3O3S/c1-2-27-20-15(13-22)12-18(19(23-20)14-8-10-16(21)11-9-14)24-28(25,26)17-6-4-3-5-7-17/h3-12,24H,2H2,1H3
InChIKeySKVANUBCJAUAKP-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.96
Rot. Bonds6

About N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 23217938) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID23217938
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C20H16FN3O3S/c1-2-27-20-15(13-22)12-18(19(23-20)14-8-10-16(21)11-9-14)24-28(25,26)17-6-4-3-5-7-17/h3-12,24H,2H2,1H3
InChIKeySKVANUBCJAUAKP-UHFFFAOYSA-N
XLogP3.96
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 23217938) is N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is CCOc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N.
What is the InChIKey of N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is SKVANUBCJAUAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-2-27-20-15(13-22)12-18(19(23-20)14-8-10-16(21)11-9-14)24-28(25,26)17-6-4-3-5-7-17/h3-12,24H,2H2,1H3.
What are the key properties of N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-ethoxy-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).