2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide

C15H25FN2O2S — CID 106335021

IUPAC2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
SMILESCCCCC(NCCS(=O)(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2S/c1-4-5-6-15(13-7-9-14(16)10-8-13)17-11-12-21(19,20)18(2)3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeySVYNZJBNXWVWFC-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.54
Rot. Bonds9

About 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide

2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide (PubChem CID 106335021) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
PubChem CID106335021
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
SMILESCCCCC(NCCS(=O)(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2S/c1-4-5-6-15(13-7-9-14(16)10-8-13)17-11-12-21(19,20)18(2)3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeySVYNZJBNXWVWFC-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
CID 115721013
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43111700
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 63484521
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide (CID 106335021) is 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide is CCCCC(NCCS(=O)(=O)N(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is SVYNZJBNXWVWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-4-5-6-15(13-7-9-14(16)10-8-13)17-11-12-21(19,20)18(2)3/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide?
2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106335021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).