4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide

C16H20N2O2S — CID 60686955

IUPAC4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
SMILESCc1cc(C)cc(CNCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(6-4-14)21(17,19)20/h3-9,18H,10-11H2,1-2H3,(H2,17,19,20)
InChIKeyBEBHNUAEIPCSFC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.24
Rot. Bonds5

About 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide

4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide (PubChem CID 60686955) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
PubChem CID60686955
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
SMILESCc1cc(C)cc(CNCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(6-4-14)21(17,19)20/h3-9,18H,10-11H2,1-2H3,(H2,17,19,20)
InChIKeyBEBHNUAEIPCSFC-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
N-[(3,5-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 61030106
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 62319235
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
2-methyl-1-[(3-methylphenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111899600
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 50957640

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide (CID 60686955) is 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide is Cc1cc(C)cc(CNCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide?
The InChIKey is BEBHNUAEIPCSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(6-4-14)21(17,19)20/h3-9,18H,10-11H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide?
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 60686955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).