4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide

C21H23N3O3S — CID 113017943

IUPAC4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cc(C)cc3C)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-11-15(2)21(16(3)12-14)23-20-10-5-17(13-22-20)24-28(25,26)19-8-6-18(27-4)7-9-19/h5-13,24H,1-4H3,(H,22,23)
InChIKeyJCSLFLJFHJJTFO-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.56
Rot. Bonds6

About 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide

4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113017943) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113017943
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cc(C)cc3C)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-11-15(2)21(16(3)12-14)23-20-10-5-17(13-22-20)24-28(25,26)19-8-6-18(27-4)7-9-19/h5-13,24H,1-4H3,(H,22,23)
InChIKeyJCSLFLJFHJJTFO-UHFFFAOYSA-N
XLogP4.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
CID 113032840
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide (CID 113017943) is 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cc(C)cc3C)nc2)cc1.
What is the InChIKey of 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is JCSLFLJFHJJTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-11-15(2)21(16(3)12-14)23-20-10-5-17(13-22-20)24-28(25,26)19-8-6-18(27-4)7-9-19/h5-13,24H,1-4H3,(H,22,23).
What are the key properties of 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113017943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).