N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide

C11H16ClFN2O2S — CID 103611732

IUPACN-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1c(F)cccc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-18(16,17)15-7-3-6-14-8-9-10(12)4-2-5-11(9)13/h2,4-5,14-15H,3,6-8H2,1H3
InChIKeyPJSJQWXAWSHPEF-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.51
Rot. Bonds7

About N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide

N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide (PubChem CID 103611732) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
PubChem CID103611732
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC NameN-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1c(F)cccc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-18(16,17)15-7-3-6-14-8-9-10(12)4-2-5-11(9)13/h2,4-5,14-15H,3,6-8H2,1H3
InChIKeyPJSJQWXAWSHPEF-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]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

N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide
CID 113235534
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731619
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
N-[(2-chloro-6-fluorophenyl)methyl]-6-methylsulfanylhexan-1-amine
CID 114124984
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
CID 82533014
N-[3-[(4-cyano-2,6-difluorophenyl)methylamino]propyl]methanesulfonamide
CID 107165844
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrrolidin-1-ylbutan-1-amine
CID 82364520
N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
CID 103643821
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide (CID 103611732) is N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCc1c(F)cccc1Cl.
What is the InChIKey of N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is PJSJQWXAWSHPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-18(16,17)15-7-3-6-14-8-9-10(12)4-2-5-11(9)13/h2,4-5,14-15H,3,6-8H2,1H3.
What are the key properties of N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide?
N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103611732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).