2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

C21H23N3O2S — CID 113016284

IUPAC2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cn2)c1
InChIInChI=1S/C21H23N3O2S/c1-14-6-5-7-18(12-14)23-20-9-8-19(13-22-20)24-27(25,26)21-16(3)10-15(2)11-17(21)4/h5-13,24H,1-4H3,(H,22,23)
InChIKeyWGRFPEHMGTXNLA-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.86
Rot. Bonds5

About 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016284) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016284
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cn2)c1
InChIInChI=1S/C21H23N3O2S/c1-14-6-5-7-18(12-14)23-20-9-8-19(13-22-20)24-27(25,26)21-16(3)10-15(2)11-17(21)4/h5-13,24H,1-4H3,(H,22,23)
InChIKeyWGRFPEHMGTXNLA-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

2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016284) is 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cn2)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is WGRFPEHMGTXNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-6-5-7-18(12-14)23-20-9-8-19(13-22-20)24-27(25,26)21-16(3)10-15(2)11-17(21)4/h5-13,24H,1-4H3,(H,22,23).
What are the key properties of 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
2,4,6-trimethyl-N-[6-(3-methylanilino)-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 2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).