2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid

C15H17NO5S — CID 139943090

IUPAC2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3)C(=O)O
InChIInChI=1S/C15H17NO5S/c1-9(15(17)18)16-22(19,20)10-6-7-12-11-4-2-3-5-13(11)21-14(12)8-10/h6-9,16H,2-5H2,1H3,(H,17,18)
InChIKeyLOQVGAPMYXXSSU-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.06
Rot. Bonds4

About 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid

2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid (PubChem CID 139943090) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid
PubChem CID139943090
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3)C(=O)O
InChIInChI=1S/C15H17NO5S/c1-9(15(17)18)16-22(19,20)10-6-7-12-11-4-2-3-5-13(11)21-14(12)8-10/h6-9,16H,2-5H2,1H3,(H,17,18)
InChIKeyLOQVGAPMYXXSSU-UHFFFAOYSA-N
XLogP2.06
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
CID 12042324
2-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-ylsulfonylamino)-3-methylbutanoic acid
CID 18386305
tert-butyl (2R)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoate
CID 12042322
hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid
CID 70165066
4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
CID 18386315
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
CID 3963804
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
(2S)-3-methyl-2-[[8-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 57401026

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid (CID 139943090) is 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid is CC(NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3)C(=O)O.
What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid?
The InChIKey is LOQVGAPMYXXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-9(15(17)18)16-22(19,20)10-6-7-12-11-4-2-3-5-13(11)21-14(12)8-10/h6-9,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid?
2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid has a molecular weight of 323.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 139943090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).