2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid

C18H18FNO5S — CID 166666861

IUPAC2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)CC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C18H18FNO5S/c1-18(2,19)10-14(17(21)22)20-26(23,24)11-7-8-16-13(9-11)12-5-3-4-6-15(12)25-16/h3-9,14,20H,10H2,1-2H3,(H,21,22)
InChIKeyQOWRDVGRIWTYGE-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.46
Rot. Bonds6

About 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid

2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid (PubChem CID 166666861) has the molecular formula C18H18FNO5S and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
PubChem CID166666861
Molecular FormulaC18H18FNO5S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Name2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)CC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C18H18FNO5S/c1-18(2,19)10-14(17(21)22)20-26(23,24)11-7-8-16-13(9-11)12-5-3-4-6-15(12)25-16/h3-9,14,20H,10H2,1-2H3,(H,21,22)
InChIKeyQOWRDVGRIWTYGE-UHFFFAOYSA-N
XLogP3.46
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
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
(2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid
CID 59477230
(2S)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 59477371
N-[(3S)-7-methoxy-3,7-dimethyloctyl]dibenzofuran-2-sulfonamide
CID 7310618
(2S)-3-methyl-2-[[8-[4-(trifluoromethyl)phenyl]dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 59477298

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid?
The IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid (CID 166666861) is 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid.
What is the SMILES notation for 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid?
The canonical SMILES for 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid is CC(C)(F)CC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O.
What is the InChIKey of 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid?
The InChIKey is QOWRDVGRIWTYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5S/c1-18(2,19)10-14(17(21)22)20-26(23,24)11-7-8-16-13(9-11)12-5-3-4-6-15(12)25-16/h3-9,14,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid?
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid has a molecular weight of 379.41 g/mol, XLogP of 3.46, 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)-4-fluoro-4-methylpentanoic acid is sourced from PubChem (CID 166666861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).