3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide

C18H24N2O2S — CID 56824148

IUPAC3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2cccc(C)c2C)c1
InChIInChI=1S/C18H24N2O2S/c1-13-7-5-9-17(14(13)2)12-20-15(3)16-8-6-10-18(11-16)23(21,22)19-4/h5-11,15,19-20H,12H2,1-4H3
InChIKeyWYJCUECTMYDVDK-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.06
Rot. Bonds6

About 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide

3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 56824148) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
PubChem CID56824148
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2cccc(C)c2C)c1
InChIInChI=1S/C18H24N2O2S/c1-13-7-5-9-17(14(13)2)12-20-15(3)16-8-6-10-18(11-16)23(21,22)19-4/h5-11,15,19-20H,12H2,1-4H3
InChIKeyWYJCUECTMYDVDK-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide (CID 56824148) is 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(C)NCc2cccc(C)c2C)c1.
What is the InChIKey of 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is WYJCUECTMYDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13-7-5-9-17(14(13)2)12-20-15(3)16-8-6-10-18(11-16)23(21,22)19-4/h5-11,15,19-20H,12H2,1-4H3.
What are the key properties of 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 56824148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).