2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid

C12H14F3NO5S — CID 122101407

IUPAC2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)O
InChIInChI=1S/C12H14F3NO5S/c1-2-3-8(11(17)18)16-22(19,20)10-6-7(13)4-5-9(10)21-12(14)15/h4-6,8,12,16H,2-3H2,1H3,(H,17,18)
InChIKeyWCMIQXKZPQEZMR-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.96
Rot. Bonds8

About 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid

2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid (PubChem CID 122101407) has the molecular formula C12H14F3NO5S and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
PubChem CID122101407
Molecular FormulaC12H14F3NO5S
Molecular Weight341.31 g/mol
Exact Mass341.05
IUPAC Name2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)O
InChIInChI=1S/C12H14F3NO5S/c1-2-3-8(11(17)18)16-22(19,20)10-6-7(13)4-5-9(10)21-12(14)15/h4-6,8,12,16H,2-3H2,1H3,(H,17,18)
InChIKeyWCMIQXKZPQEZMR-UHFFFAOYSA-N
XLogP1.96
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
CID 122101400
(2R)-2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]-3-methylbutanoic acid
CID 122101434
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
CID 120606777
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
CID 120820494
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62480757

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid?
The IUPAC name of 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid (CID 122101407) is 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)O.
What is the InChIKey of 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid?
The InChIKey is WCMIQXKZPQEZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO5S/c1-2-3-8(11(17)18)16-22(19,20)10-6-7(13)4-5-9(10)21-12(14)15/h4-6,8,12,16H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid?
2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid has a molecular weight of 341.31 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid is sourced from PubChem (CID 122101407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).