N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide

C11H17FN2O2S — CID 54973713

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-13-6-7-17(15,16)14(2)9-10-4-3-5-11(12)8-10/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyZXYXMMPZXZCRAV-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.81
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide (PubChem CID 54973713) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide
PubChem CID54973713
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-13-6-7-17(15,16)14(2)9-10-4-3-5-11(12)8-10/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyZXYXMMPZXZCRAV-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534239
N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
CID 103300825
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55014212
N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618292
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 138009411
methyl 3-[(3-aminophenyl)methyl-methylsulfamoyl]propanoate
CID 61458585
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 177179048
methyl 3-[(3-fluorophenyl)methyl-methylsulfamoyl]-4-methylbenzoate
CID 99606757
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide (CID 54973713) is N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide?
The InChIKey is ZXYXMMPZXZCRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-13-6-7-17(15,16)14(2)9-10-4-3-5-11(12)8-10/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 54973713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).