N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide

C21H23N3O3S — CID 113012489

IUPACN-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-4-10-20(16(2)12-15)28(25,26)24-18-7-11-21(23-14-18)22-13-17-5-8-19(27-3)9-6-17/h4-12,14,24H,13H2,1-3H3,(H,22,23)
InChIKeyUDMZJLASEUQIDE-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.12
Rot. Bonds7

About N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide

N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113012489) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
PubChem CID113012489
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-4-10-20(16(2)12-15)28(25,26)24-18-7-11-21(23-14-18)22-13-17-5-8-19(27-3)9-6-17/h4-12,14,24H,13H2,1-3H3,(H,22,23)
InChIKeyUDMZJLASEUQIDE-UHFFFAOYSA-N
XLogP4.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113013339
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011834

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide (CID 113012489) is N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide is COc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cn2)cc1.
What is the InChIKey of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is UDMZJLASEUQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-4-10-20(16(2)12-15)28(25,26)24-18-7-11-21(23-14-18)22-13-17-5-8-19(27-3)9-6-17/h4-12,14,24H,13H2,1-3H3,(H,22,23).
What are the key properties of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113012489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).