2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid

C13H16F3NO5S — CID 120606777

IUPAC2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)O
InChIInChI=1S/C13H16F3NO5S/c1-2-3-4-10(12(18)19)17-23(20,21)8-5-6-11(9(14)7-8)22-13(15)16/h5-7,10,13,17H,2-4H2,1H3,(H,18,19)
InChIKeyJIGIPTAEZSYRFU-UHFFFAOYSA-N
MW355.33 g/mol
LogP2.35
Rot. Bonds9

About 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid

2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid (PubChem CID 120606777) has the molecular formula C13H16F3NO5S and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
PubChem CID120606777
Molecular FormulaC13H16F3NO5S
Molecular Weight355.33 g/mol
Exact Mass355.07
IUPAC Name2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)O
InChIInChI=1S/C13H16F3NO5S/c1-2-3-4-10(12(18)19)17-23(20,21)8-5-6-11(9(14)7-8)22-13(15)16/h5-7,10,13,17H,2-4H2,1H3,(H,18,19)
InChIKeyJIGIPTAEZSYRFU-UHFFFAOYSA-N
XLogP2.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
CID 122101400
(2R)-2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]-3-methylbutanoic acid
CID 120606796
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
CID 122101407
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
(2S)-6-amino-2-[(3,4-dimethoxyphenyl)sulfonylamino]hexanoic acid
CID 69227886
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid (CID 120606777) is 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)O.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid?
The InChIKey is JIGIPTAEZSYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO5S/c1-2-3-4-10(12(18)19)17-23(20,21)8-5-6-11(9(14)7-8)22-13(15)16/h5-7,10,13,17H,2-4H2,1H3,(H,18,19).
What are the key properties of 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid?
2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid has a molecular weight of 355.33 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid is sourced from PubChem (CID 120606777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).