(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid

C17H17NO5S — CID 142643143

IUPAC(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C17H17NO5S/c1-2-5-14(17(19)20)18-24(21,22)11-8-9-16-13(10-11)12-6-3-4-7-15(12)23-16/h3-4,6-10,14,18H,2,5H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyWRMPKULHUFNTNN-AWEZNQCLSA-N
MW347.39 g/mol
LogP3.12
Rot. Bonds6

About (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid (PubChem CID 142643143) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
PubChem CID142643143
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C17H17NO5S/c1-2-5-14(17(19)20)18-24(21,22)11-8-9-16-13(10-11)12-6-3-4-7-15(12)23-16/h3-4,6-10,14,18H,2,5H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyWRMPKULHUFNTNN-AWEZNQCLSA-N
XLogP3.12
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
CID 54121910
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2S)-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid (CID 142643143) is (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid is CCC[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O.
What is the InChIKey of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid?
The InChIKey is WRMPKULHUFNTNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-2-5-14(17(19)20)18-24(21,22)11-8-9-16-13(10-11)12-6-3-4-7-15(12)23-16/h3-4,6-10,14,18H,2,5H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid?
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid has a molecular weight of 347.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 142643143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).