3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide

C15H18N2O2S2 — CID 106057745

IUPAC3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C15H18N2O2S2/c1-16-11-12-4-3-5-15(10-12)21(18,19)17-13-6-8-14(20-2)9-7-13/h3-10,16-17H,11H2,1-2H3
InChIKeyXVVTYDALNUVNCJ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.93
Rot. Bonds6

About 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide

3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 106057745) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
PubChem CID106057745
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C15H18N2O2S2/c1-16-11-12-4-3-5-15(10-12)21(18,19)17-13-6-8-14(20-2)9-7-13/h3-10,16-17H,11H2,1-2H3
InChIKeyXVVTYDALNUVNCJ-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)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

N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
3-(methylaminomethyl)benzenesulfonic acid
CID 19897302
3-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077992
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide (CID 106057745) is 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2ccc(SC)cc2)c1.
What is the InChIKey of 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is XVVTYDALNUVNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-16-11-12-4-3-5-15(10-12)21(18,19)17-13-6-8-14(20-2)9-7-13/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide?
3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 106057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).