N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide

C15H18N2O2S — CID 107802273

IUPACN-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C)c2CN)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-3-7-13(9-11)20(18,19)17-15-8-4-6-12(2)14(15)10-16/h3-9,17H,10,16H2,1-2H3
InChIKeyRCNMJSIHMVIEJC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide

N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide (PubChem CID 107802273) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
PubChem CID107802273
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C)c2CN)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-3-7-13(9-11)20(18,19)17-15-8-4-6-12(2)14(15)10-16/h3-9,17H,10,16H2,1-2H3
InChIKeyRCNMJSIHMVIEJC-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)-3-methylphenyl]-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

N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
CID 107802338
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide
CID 107802285
2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene
CID 107802276
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
CID 106073882
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide (CID 107802273) is N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(C)c2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide?
The InChIKey is RCNMJSIHMVIEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-5-3-7-13(9-11)20(18,19)17-15-8-4-6-12(2)14(15)10-16/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide?
N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 107802273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).