N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide

C17H22N2O2S — CID 95178243

IUPACN-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)NCc2ccccc2C)c1
InChIInChI=1S/C17H22N2O2S/c1-13-7-4-5-8-16(13)12-19-14(2)15-9-6-10-17(11-15)22(20,21)18-3/h4-11,14,18-19H,12H2,1-3H3/t14-/m1/s1
InChIKeyAPSQKYFRGJYPFI-CQSZACIVSA-N
MW318.44 g/mol
LogP2.75
Rot. Bonds6

About N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide

N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 95178243) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID95178243
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)NCc2ccccc2C)c1
InChIInChI=1S/C17H22N2O2S/c1-13-7-4-5-8-16(13)12-19-14(2)15-9-6-10-17(11-15)22(20,21)18-3/h4-11,14,18-19H,12H2,1-3H3/t14-/m1/s1
InChIKeyAPSQKYFRGJYPFI-CQSZACIVSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 95178250
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 56824144
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
3-[1-[(2-chloroquinolin-3-yl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 75395134
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
3-[(1S)-1-[[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97103929
3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 111521852
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 75455956
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide (CID 95178243) is N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccccc2C)c1.
What is the InChIKey of N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is APSQKYFRGJYPFI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13-7-4-5-8-16(13)12-19-14(2)15-9-6-10-17(11-15)22(20,21)18-3/h4-11,14,18-19H,12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide?
N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 95178243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).