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

C22H21N3O3S — CID 71654937

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(Oc3nc(C)cc(C)c3C#N)c2)cc1
InChIInChI=1S/C22H21N3O3S/c1-4-17-8-10-20(11-9-17)29(26,27)25-18-6-5-7-19(13-18)28-22-21(14-23)15(2)12-16(3)24-22/h5-13,25H,4H2,1-3H3
InChIKeyCILMTXQCAYCRDU-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.73
Rot. Bonds6

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

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide (PubChem CID 71654937) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide
PubChem CID71654937
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(Oc3nc(C)cc(C)c3C#N)c2)cc1
InChIInChI=1S/C22H21N3O3S/c1-4-17-8-10-20(11-9-17)29(26,27)25-18-6-5-7-19(13-18)28-22-21(14-23)15(2)12-16(3)24-22/h5-13,25H,4H2,1-3H3
InChIKeyCILMTXQCAYCRDU-UHFFFAOYSA-N
XLogP4.73
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-[(3-cyano-4,6-dimethylpyridin-2-yl)oxy]phenyl}-4-methylbenzenesulfonamide
CID 1267327
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 71654938
4-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 71654939
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide
CID 71654940
4-cyano-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 71655012
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71655014
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-methoxybenzenesulfonamide
CID 71655015
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 71654936
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-nitrobenzenesulfonamide
CID 71655013
4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 71655016
4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
CID 71655017
4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
CID 71655092

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide (CID 71654937) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide is CCc1ccc(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-ethylbenzenesulfonamide?
The InChIKey is CILMTXQCAYCRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-4-17-8-10-20(11-9-17)29(26,27)25-18-6-5-7-19(13-18)28-22-21(14-23)15(2)12-16(3)24-22/h5-13,25H,4H2,1-3H3.
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-ethylbenzenesulfonamide has a molecular weight of 407.50 g/mol, XLogP of 4.73, 6 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-ethylbenzenesulfonamide is sourced from PubChem (CID 71654937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).