2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid

C18H19NO5S — CID 22394556

IUPAC2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C18H19NO5S/c1-3-11(2)17(18(20)21)19-25(22,23)12-8-9-16-14(10-12)13-6-4-5-7-15(13)24-16/h4-11,17,19H,3H2,1-2H3,(H,20,21)
InChIKeyREKHMRWKZZYTDP-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.36
Rot. Bonds6

About 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid

2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid (PubChem CID 22394556) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
PubChem CID22394556
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C18H19NO5S/c1-3-11(2)17(18(20)21)19-25(22,23)12-8-9-16-14(10-12)13-6-4-5-7-15(13)24-16/h4-11,17,19H,3H2,1-2H3,(H,20,21)
InChIKeyREKHMRWKZZYTDP-UHFFFAOYSA-N
XLogP3.36
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173476
3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid
CID 68503750
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
CID 54121910
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid (CID 22394556) is 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid is CCC(C)C(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O.
What is the InChIKey of 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid?
The InChIKey is REKHMRWKZZYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-3-11(2)17(18(20)21)19-25(22,23)12-8-9-16-14(10-12)13-6-4-5-7-15(13)24-16/h4-11,17,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid?
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid has a molecular weight of 361.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 22394556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).