N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide

C21H22N2O3S — CID 112982764

IUPACN-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-16-4-3-5-21(14-16)27(24,25)23-19-10-8-18(9-11-19)22-15-17-6-12-20(26-2)13-7-17/h3-14,22-23H,15H2,1-2H3
InChIKeyPGZZSLYFMNLMMD-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.42
Rot. Bonds7

About N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide

N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide (PubChem CID 112982764) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
PubChem CID112982764
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-16-4-3-5-21(14-16)27(24,25)23-19-10-8-18(9-11-19)22-15-17-6-12-20(26-2)13-7-17/h3-14,22-23H,15H2,1-2H3
InChIKeyPGZZSLYFMNLMMD-UHFFFAOYSA-N
XLogP4.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide 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
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982120
2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide (CID 112982764) is N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide is COc1ccc(CNc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is PGZZSLYFMNLMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16-4-3-5-21(14-16)27(24,25)23-19-10-8-18(9-11-19)22-15-17-6-12-20(26-2)13-7-17/h3-14,22-23H,15H2,1-2H3.
What are the key properties of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide?
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 112982764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).