2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide

C21H23N3O3S — CID 112982979

IUPAC2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-12-20(27-3)21(13-16(15)2)28(25,26)24-18-9-7-17(8-10-18)23-14-19-6-4-5-11-22-19/h4-13,23-24H,14H2,1-3H3
InChIKeyRIZVRYFMYQXIEW-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.12
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112982979) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112982979
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-12-20(27-3)21(13-16(15)2)28(25,26)24-18-9-7-17(8-10-18)23-14-19-6-4-5-11-22-19/h4-13,23-24H,14H2,1-3H3
InChIKeyRIZVRYFMYQXIEW-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

Analyze 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 167886085
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 112980539
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide (CID 112982979) is 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccn2)cc1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is RIZVRYFMYQXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-12-20(27-3)21(13-16(15)2)28(25,26)24-18-9-7-17(8-10-18)23-14-19-6-4-5-11-22-19/h4-13,23-24H,14H2,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide 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 2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112982979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).