N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide

C20H16FN3O3S — CID 71654940

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H16FN3O3S/c1-13-10-14(2)23-20(19(13)12-22)27-17-5-3-4-16(11-17)24-28(25,26)18-8-6-15(21)7-9-18/h3-11,24H,1-2H3
InChIKeyHZVDTANTUFQZQY-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.30
Rot. Bonds5

About N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 71654940) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide
PubChem CID71654940
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H16FN3O3S/c1-13-10-14(2)23-20(19(13)12-22)27-17-5-3-4-16(11-17)24-28(25,26)18-8-6-15(21)7-9-18/h3-11,24H,1-2H3
InChIKeyHZVDTANTUFQZQY-UHFFFAOYSA-N
XLogP4.30
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide (CID 71654940) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide is Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)n1.
What is the InChIKey of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is HZVDTANTUFQZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-13-10-14(2)23-20(19(13)12-22)27-17-5-3-4-16(11-17)24-28(25,26)18-8-6-15(21)7-9-18/h3-11,24H,1-2H3.
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71654940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).