N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide

C21H22N2O3S — CID 66714010

IUPACN-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1-c1cnccc1C
InChIInChI=1S/C21H22N2O3S/c1-14-5-8-21(16(3)11-14)27(24,25)23-17-6-7-18(20(12-17)26-4)19-13-22-10-9-15(19)2/h5-13,23H,1-4H3
InChIKeyMRXUFIGWFSHICV-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.48
Rot. Bonds5

About N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide

N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 66714010) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
PubChem CID66714010
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1-c1cnccc1C
InChIInChI=1S/C21H22N2O3S/c1-14-5-8-21(16(3)11-14)27(24,25)23-17-6-7-18(20(12-17)26-4)19-13-22-10-9-15(19)2/h5-13,23H,1-4H3
InChIKeyMRXUFIGWFSHICV-UHFFFAOYSA-N
XLogP4.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide 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

N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide
CID 56651977
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714005
N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide
CID 87120808
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide
CID 71903150
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
CID 56652996
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide (CID 66714010) is N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1-c1cnccc1C.
What is the InChIKey of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is MRXUFIGWFSHICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-5-8-21(16(3)11-14)27(24,25)23-17-6-7-18(20(12-17)26-4)19-13-22-10-9-15(19)2/h5-13,23H,1-4H3.
What are the key properties of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide?
N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 66714010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).