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

C20H17N3O3S — CID 71654936

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C20H17N3O3S/c1-14-11-15(2)22-20(19(14)13-21)26-17-8-6-7-16(12-17)23-27(24,25)18-9-4-3-5-10-18/h3-12,23H,1-2H3
InChIKeyJQEZTYGRJHKQCE-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.16
Rot. Bonds5

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

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide (PubChem CID 71654936) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
PubChem CID71654936
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C20H17N3O3S/c1-14-11-15(2)22-20(19(14)13-21)26-17-8-6-7-16(12-17)23-27(24,25)18-9-4-3-5-10-18/h3-12,23H,1-2H3
InChIKeyJQEZTYGRJHKQCE-UHFFFAOYSA-N
XLogP4.16
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.16
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]benzenesulfonamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 71654936) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide is Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)n1.
What is the InChIKey of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is JQEZTYGRJHKQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-14-11-15(2)22-20(19(14)13-21)26-17-8-6-7-16(12-17)23-27(24,25)18-9-4-3-5-10-18/h3-12,23H,1-2H3.
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 4.16, 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]benzenesulfonamide is sourced from PubChem (CID 71654936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).