5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid

C13H18FNO4S — CID 82854872

IUPAC5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-10(3-2-4-13(16)17)15-20(18,19)9-11-5-7-12(14)8-6-11/h5-8,10,15H,2-4,9H2,1H3,(H,16,17)
InChIKeyVVRYEESYPGFPFQ-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.89
Rot. Bonds8

About 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid

5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid (PubChem CID 82854872) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
PubChem CID82854872
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-10(3-2-4-13(16)17)15-20(18,19)9-11-5-7-12(14)8-6-11/h5-8,10,15H,2-4,9H2,1H3,(H,16,17)
InChIKeyVVRYEESYPGFPFQ-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
methyl 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoate
CID 43410348
(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
CID 94081674
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270
2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
CID 51080633
1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
CID 34161180
5-[(4-fluorophenyl)methylsulfonyl]pentanoic acid
CID 82182690

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid (CID 82854872) is 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid?
The InChIKey is VVRYEESYPGFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-10(3-2-4-13(16)17)15-20(18,19)9-11-5-7-12(14)8-6-11/h5-8,10,15H,2-4,9H2,1H3,(H,16,17).
What are the key properties of 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid?
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid has a molecular weight of 303.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid is sourced from PubChem (CID 82854872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).