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

C21H19N3O4S — CID 71655015

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Oc3nc(C)cc(C)c3C#N)c2)cc1
InChIInChI=1S/C21H19N3O4S/c1-14-11-15(2)23-21(20(14)13-22)28-18-6-4-5-16(12-18)24-29(25,26)19-9-7-17(27-3)8-10-19/h4-12,24H,1-3H3
InChIKeyIWXLDWRRKUFTRK-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.17
Rot. Bonds6

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

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 71655015) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide
PubChem CID71655015
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Oc3nc(C)cc(C)c3C#N)c2)cc1
InChIInChI=1S/C21H19N3O4S/c1-14-11-15(2)23-21(20(14)13-22)28-18-6-4-5-16(12-18)24-29(25,26)19-9-7-17(27-3)8-10-19/h4-12,24H,1-3H3
InChIKeyIWXLDWRRKUFTRK-UHFFFAOYSA-N
XLogP4.17
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methoxybenzenesulfonamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide (CID 71655015) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Oc3nc(C)cc(C)c3C#N)c2)cc1.
What is the InChIKey of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is IWXLDWRRKUFTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-14-11-15(2)23-21(20(14)13-22)28-18-6-4-5-16(12-18)24-29(25,26)19-9-7-17(27-3)8-10-19/h4-12,24H,1-3H3.
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71655015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).