4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide

C16H20N2O2S — CID 4719674

IUPAC4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCc1ccccc1CNCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N2O2S/c1-13-4-2-3-5-15(13)12-18-11-10-14-6-8-16(9-7-14)21(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
InChIKeyNWLZDZJJTHZWGI-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.97
Rot. Bonds6

About 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide

4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 4719674) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID4719674
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCc1ccccc1CNCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N2O2S/c1-13-4-2-3-5-15(13)12-18-11-10-14-6-8-16(9-7-14)21(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
InChIKeyNWLZDZJJTHZWGI-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylphenyl)methyl]benzenesulfonamide
CID 139623698
4-[3-[(2-methylphenyl)methylsulfonylamino]propyl]benzenesulfonamide
CID 110293809
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
CID 4718104
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
4-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide
CID 17212596
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
4-[2-(3,3-dimethylbutylamino)ethyl]benzenesulfonamide
CID 60687315
4-[2-[(4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 4718991
4-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17212595
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide (CID 4719674) is 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide is Cc1ccccc1CNCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is NWLZDZJJTHZWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-4-2-3-5-15(13)12-18-11-10-14-6-8-16(9-7-14)21(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20).
What are the key properties of 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 4719674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).