2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid

C13H16ClF2NO5S — CID 122101400

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)O
InChIInChI=1S/C13H16ClF2NO5S/c1-2-3-4-9(12(18)19)17-23(20,21)11-7-8(14)5-6-10(11)22-13(15)16/h5-7,9,13,17H,2-4H2,1H3,(H,18,19)
InChIKeyNDSIZVYQQASTQG-UHFFFAOYSA-N
MW371.79 g/mol
LogP2.86
Rot. Bonds9

About 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid

2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid (PubChem CID 122101400) has the molecular formula C13H16ClF2NO5S and a molecular weight of 371.79 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
PubChem CID122101400
Molecular FormulaC13H16ClF2NO5S
Molecular Weight371.79 g/mol
Exact Mass371.04
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)O
InChIInChI=1S/C13H16ClF2NO5S/c1-2-3-4-9(12(18)19)17-23(20,21)11-7-8(14)5-6-10(11)22-13(15)16/h5-7,9,13,17H,2-4H2,1H3,(H,18,19)
InChIKeyNDSIZVYQQASTQG-UHFFFAOYSA-N
XLogP2.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
CID 120606777
2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
CID 122101407
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086354
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
2-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478089
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 122101473

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid (CID 122101400) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)O.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid?
The InChIKey is NDSIZVYQQASTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO5S/c1-2-3-4-9(12(18)19)17-23(20,21)11-7-8(14)5-6-10(11)22-13(15)16/h5-7,9,13,17H,2-4H2,1H3,(H,18,19).
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid?
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid has a molecular weight of 371.79 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid is sourced from PubChem (CID 122101400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).