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

C21H23N3O2S — CID 113017941

IUPAC4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cc(C)cc3C)nc2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14-5-8-19(9-6-14)27(25,26)24-18-7-10-20(22-13-18)23-21-16(3)11-15(2)12-17(21)4/h5-13,24H,1-4H3,(H,22,23)
InChIKeyXAYAVSQNGBUWAW-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.86
Rot. Bonds5

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

4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113017941) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113017941
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cc(C)cc3C)nc2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14-5-8-19(9-6-14)27(25,26)24-18-7-10-20(22-13-18)23-21-16(3)11-15(2)12-17(21)4/h5-13,24H,1-4H3,(H,22,23)
InChIKeyXAYAVSQNGBUWAW-UHFFFAOYSA-N
XLogP4.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
CID 113032840
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide (CID 113017941) is 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cc(C)cc3C)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is XAYAVSQNGBUWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-5-8-19(9-6-14)27(25,26)24-18-7-10-20(22-13-18)23-21-16(3)11-15(2)12-17(21)4/h5-13,24H,1-4H3,(H,22,23).
What are the key properties of 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113017941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).