2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid

C12H15ClFNO5S — CID 81086354

IUPAC2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C12H15ClFNO5S/c1-20-6-2-3-10(12(16)17)15-21(18,19)11-5-4-8(13)7-9(11)14/h4-5,7,10,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyWWWIPWQJVXIMML-UHFFFAOYSA-N
MW339.77 g/mol
LogP1.64
Rot. Bonds8

About 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid

2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid (PubChem CID 81086354) has the molecular formula C12H15ClFNO5S and a molecular weight of 339.77 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
PubChem CID81086354
Molecular FormulaC12H15ClFNO5S
Molecular Weight339.77 g/mol
Exact Mass339.03
IUPAC Name2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C12H15ClFNO5S/c1-20-6-2-3-10(12(16)17)15-21(18,19)11-5-4-8(13)7-9(11)14/h4-5,7,10,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyWWWIPWQJVXIMML-UHFFFAOYSA-N
XLogP1.64
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43091490
(2R)-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906639
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478089
2-[(3,5-dimethylphenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086194
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
CID 122101400
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 103298878
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084402
5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62480757
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid (CID 81086354) is 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid is COCCCC(NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid?
The InChIKey is WWWIPWQJVXIMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO5S/c1-20-6-2-3-10(12(16)17)15-21(18,19)11-5-4-8(13)7-9(11)14/h4-5,7,10,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid?
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid has a molecular weight of 339.77 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid is sourced from PubChem (CID 81086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).