N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide

C17H22N2O2S — CID 11782125

IUPACN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-19(14-16-6-4-3-5-7-16)13-12-15-8-10-17(11-9-15)18-22(2,20)21/h3-11,18H,12-14H2,1-2H3
InChIKeyPPICXCGRAJZQJI-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.73
Rot. Bonds7

About N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide (PubChem CID 11782125) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
PubChem CID11782125
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-19(14-16-6-4-3-5-7-16)13-12-15-8-10-17(11-9-15)18-22(2,20)21/h3-11,18H,12-14H2,1-2H3
InChIKeyPPICXCGRAJZQJI-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide (CID 11782125) is N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide is CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is PPICXCGRAJZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-19(14-16-6-4-3-5-7-16)13-12-15-8-10-17(11-9-15)18-22(2,20)21/h3-11,18H,12-14H2,1-2H3.
What are the key properties of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11782125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).