1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide

C10H15FN2O2S — CID 119973006

IUPAC1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
SMILESCNCCNS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-12-5-6-13-16(14,15)8-9-3-2-4-10(11)7-9/h2-4,7,12-13H,5-6,8H2,1H3
InChIKeyCVTHIRJWVYCMGB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.46
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide

1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide (PubChem CID 119973006) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
PubChem CID119973006
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
SMILESCNCCNS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-12-5-6-13-16(14,15)8-9-3-2-4-10(11)7-9/h2-4,7,12-13H,5-6,8H2,1H3
InChIKeyCVTHIRJWVYCMGB-UHFFFAOYSA-N
XLogP0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
1-(3-fluorophenyl)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122308729
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492
N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 100648391
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide
CID 54973713
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
3-[3-(methylamino)propylsulfamoylmethyl]benzoic acid
CID 61403731
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122322649
N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide
CID 167798570

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide (CID 119973006) is 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide is CNCCNS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide?
The InChIKey is CVTHIRJWVYCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-12-5-6-13-16(14,15)8-9-3-2-4-10(11)7-9/h2-4,7,12-13H,5-6,8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 119973006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).