2-(furan-3-ylsulfonylamino)hexanoic acid

C10H15NO5S — CID 120968679

IUPAC2-(furan-3-ylsulfonylamino)hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C10H15NO5S/c1-2-3-4-9(10(12)13)11-17(14,15)8-5-6-16-7-8/h5-7,9,11H,2-4H2,1H3,(H,12,13)
InChIKeyRTRYFLKZKGYQLU-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.20
Rot. Bonds7

About 2-(furan-3-ylsulfonylamino)hexanoic acid

2-(furan-3-ylsulfonylamino)hexanoic acid (PubChem CID 120968679) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(furan-3-ylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name2-(furan-3-ylsulfonylamino)hexanoic acid
PubChem CID120968679
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name2-(furan-3-ylsulfonylamino)hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C10H15NO5S/c1-2-3-4-9(10(12)13)11-17(14,15)8-5-6-16-7-8/h5-7,9,11H,2-4H2,1H3,(H,12,13)
InChIKeyRTRYFLKZKGYQLU-UHFFFAOYSA-N
XLogP1.20
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
2-[(4-ethoxycarbonylphenyl)sulfonylamino]hexanoic acid
CID 91901067
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
(2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonylamino]hexanoic acid
CID 42587865
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 82155470
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
CID 120606777

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylsulfonylamino)hexanoic acid?
The IUPAC name of 2-(furan-3-ylsulfonylamino)hexanoic acid (CID 120968679) is 2-(furan-3-ylsulfonylamino)hexanoic acid.
What is the SMILES notation for 2-(furan-3-ylsulfonylamino)hexanoic acid?
The canonical SMILES for 2-(furan-3-ylsulfonylamino)hexanoic acid is CCCCC(NS(=O)(=O)c1ccoc1)C(=O)O.
What is the InChIKey of 2-(furan-3-ylsulfonylamino)hexanoic acid?
The InChIKey is RTRYFLKZKGYQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-2-3-4-9(10(12)13)11-17(14,15)8-5-6-16-7-8/h5-7,9,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(furan-3-ylsulfonylamino)hexanoic acid?
2-(furan-3-ylsulfonylamino)hexanoic acid has a molecular weight of 261.30 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylsulfonylamino)hexanoic acid is sourced from PubChem (CID 120968679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).