N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide

C20H21N3O3S — CID 113017219

IUPACN-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cccc3C)nc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-5-4-6-15(2)20(14)22-19-12-7-16(13-21-19)23-27(24,25)18-10-8-17(26-3)9-11-18/h4-13,23H,1-3H3,(H,21,22)
InChIKeyVFKOFOTZGBRJPH-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.25
Rot. Bonds6

About N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide

N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 113017219) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID113017219
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cccc3C)nc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-5-4-6-15(2)20(14)22-19-12-7-16(13-21-19)23-27(24,25)18-10-8-17(26-3)9-11-18/h4-13,23H,1-3H3,(H,21,22)
InChIKeyVFKOFOTZGBRJPH-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide
CID 113023175
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
CID 36591620
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 113017219) is N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cccc3C)nc2)cc1.
What is the InChIKey of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is VFKOFOTZGBRJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-5-4-6-15(2)20(14)22-19-12-7-16(13-21-19)23-27(24,25)18-10-8-17(26-3)9-11-18/h4-13,23H,1-3H3,(H,21,22).
What are the key properties of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113017219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).