3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide

C15H18N2O2S — CID 60860114

IUPAC3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
SMILESCc1ccc(CNCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-5-7-13(8-6-12)10-17-11-14-3-2-4-15(9-14)20(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19)
InChIKeyZLXDWYXNEWRPMW-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.93
Rot. Bonds5

About 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide

3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide (PubChem CID 60860114) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
PubChem CID60860114
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
SMILESCc1ccc(CNCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-5-7-13(8-6-12)10-17-11-14-3-2-4-15(9-14)20(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19)
InChIKeyZLXDWYXNEWRPMW-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
3-[[(1-methylpyrrol-2-yl)methylamino]methyl]benzenesulfonamide
CID 62131867
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
CID 66415356
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 60857834
3-[(octylamino)methyl]benzenesulfonamide
CID 60860115
3-[(heptylamino)methyl]benzenesulfonamide
CID 60859949
3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide
CID 55906600
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide (CID 60860114) is 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide is Cc1ccc(CNCc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide?
The InChIKey is ZLXDWYXNEWRPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-5-7-13(8-6-12)10-17-11-14-3-2-4-15(9-14)20(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19).
What are the key properties of 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide?
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 60860114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).