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

C22H25N3O2S — CID 113011825

IUPAC2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cn2)cc1
InChIInChI=1S/C22H25N3O2S/c1-15-5-7-19(8-6-15)13-23-21-10-9-20(14-24-21)25-28(26,27)22-17(3)11-16(2)12-18(22)4/h5-12,14,25H,13H2,1-4H3,(H,23,24)
InChIKeyWEUCZMFTHJFPBB-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.73
Rot. Bonds6

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

2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide (PubChem CID 113011825) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
PubChem CID113011825
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cn2)cc1
InChIInChI=1S/C22H25N3O2S/c1-15-5-7-19(8-6-15)13-23-21-10-9-20(14-24-21)25-28(26,27)22-17(3)11-16(2)12-18(22)4/h5-12,14,25H,13H2,1-4H3,(H,23,24)
InChIKeyWEUCZMFTHJFPBB-UHFFFAOYSA-N
XLogP4.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011834
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
5-hydrazinyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 82055033
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012335
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113027057

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide (CID 113011825) is 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide is Cc1ccc(CNc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cn2)cc1.
What is the InChIKey of 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is WEUCZMFTHJFPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-5-7-19(8-6-15)13-23-21-10-9-20(14-24-21)25-28(26,27)22-17(3)11-16(2)12-18(22)4/h5-12,14,25H,13H2,1-4H3,(H,23,24).
What are the key properties of 2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 4.73, 6 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-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).