N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide

C15H18N2O3S — CID 104847775

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-3-6-13(7-4-11)21(18,19)17-14-8-5-12(10-16)9-15(14)20-2/h3-9,17H,10,16H2,1-2H3
InChIKeyXKBUSDTWNJDEDQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.26
Rot. Bonds5

About N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide

N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 104847775) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
PubChem CID104847775
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-3-6-13(7-4-11)21(18,19)17-14-8-5-12(10-16)9-15(14)20-2/h3-9,17H,10,16H2,1-2H3
InChIKeyXKBUSDTWNJDEDQ-UHFFFAOYSA-N
XLogP2.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)-2-methoxyphenyl]-4-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

N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169371060
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 114804139
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide (CID 104847775) is N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide is COc1cc(CN)ccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is XKBUSDTWNJDEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-3-6-13(7-4-11)21(18,19)17-14-8-5-12(10-16)9-15(14)20-2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 104847775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).