1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride

C11H18ClFN2O2S — CID 119964790

IUPAC1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)Cc1cccc(F)c1.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-13-6-3-7-14-17(15,16)9-10-4-2-5-11(12)8-10;/h2,4-5,8,13-14H,3,6-7,9H2,1H3;1H
InChIKeyGZCCIXNNNUMKQJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.28
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride

1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride (PubChem CID 119964790) has the molecular formula C11H18ClFN2O2S and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
PubChem CID119964790
Molecular FormulaC11H18ClFN2O2S
Molecular Weight296.80 g/mol
Exact Mass296.08
IUPAC Name1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)Cc1cccc(F)c1.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-13-6-3-7-14-17(15,16)9-10-4-2-5-11(12)8-10;/h2,4-5,8,13-14H,3,6-7,9H2,1H3;1H
InChIKeyGZCCIXNNNUMKQJ-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.28
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-[3-(methylamino)propyl]methanesulfonamide;hydrochloride 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-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
3-[3-(methylamino)propylsulfamoylmethyl]benzoic acid
CID 61403731
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
CID 119964749
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492
1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
CID 71803605
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 100648391

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride (CID 119964790) is 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride is CNCCCNS(=O)(=O)Cc1cccc(F)c1.Cl.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride?
The InChIKey is GZCCIXNNNUMKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S.ClH/c1-13-6-3-7-14-17(15,16)9-10-4-2-5-11(12)8-10;/h2,4-5,8,13-14H,3,6-7,9H2,1H3;1H.
What are the key properties of 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride?
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119964790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).