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

C12H15ClFNO4S — CID 82845347

IUPAC5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO4S/c1-8(3-2-4-12(16)17)15-20(18,19)11-6-5-9(13)7-10(11)14/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyFQDSZKZERWFXCB-UHFFFAOYSA-N
MW323.77 g/mol
LogP2.40
Rot. Bonds7

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

5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid (PubChem CID 82845347) has the molecular formula C12H15ClFNO4S and a molecular weight of 323.77 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
PubChem CID82845347
Molecular FormulaC12H15ClFNO4S
Molecular Weight323.77 g/mol
Exact Mass323.04
IUPAC Name5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO4S/c1-8(3-2-4-12(16)17)15-20(18,19)11-6-5-9(13)7-10(11)14/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyFQDSZKZERWFXCB-UHFFFAOYSA-N
XLogP2.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 82846463
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086354
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43091490
(2R)-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906639
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
2,6-difluoro-3-(hexan-2-ylsulfamoyl)benzoic acid
CID 62199651

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid (CID 82845347) is 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid?
The InChIKey is FQDSZKZERWFXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S/c1-8(3-2-4-12(16)17)15-20(18,19)11-6-5-9(13)7-10(11)14/h5-8,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid?
5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid has a molecular weight of 323.77 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 82845347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).