4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide

C20H21N3O3S — CID 112983082

IUPAC4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)c(C)c1
InChIInChI=1S/C20H21N3O3S/c1-15-12-19(26-2)9-10-20(15)27(24,25)23-18-7-5-17(6-8-18)22-14-16-4-3-11-21-13-16/h3-13,22-23H,14H2,1-2H3
InChIKeyAZAMTXJKGKQLLJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.81
Rot. Bonds7

About 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide

4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112983082) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112983082
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)c(C)c1
InChIInChI=1S/C20H21N3O3S/c1-15-12-19(26-2)9-10-20(15)27(24,25)23-18-7-5-17(6-8-18)22-14-16-4-3-11-21-13-16/h3-13,22-23H,14H2,1-2H3
InChIKeyAZAMTXJKGKQLLJ-UHFFFAOYSA-N
XLogP3.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-methyl-N-[4-(pyridin-3-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

3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983096
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 51121436
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
1-[4-[(4-methoxy-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610845
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
CID 24656479
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide (CID 112983082) is 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is AZAMTXJKGKQLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-12-19(26-2)9-10-20(15)27(24,25)23-18-7-5-17(6-8-18)22-14-16-4-3-11-21-13-16/h3-13,22-23H,14H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112983082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).