2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid

C16H15NO5S2 — CID 23288344

IUPAC2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
SMILESO=C(O)C(CCS)NS(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H15NO5S2/c18-16(19)13(7-8-23)17-24(20,21)10-5-6-15-12(9-10)11-3-1-2-4-14(11)22-15/h1-6,9,13,17,23H,7-8H2,(H,18,19)
InChIKeyNOYWCELMDAGFET-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.64
Rot. Bonds6

About 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid

2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid (PubChem CID 23288344) has the molecular formula C16H15NO5S2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid.

Molecular Properties

Compound Name2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
PubChem CID23288344
Molecular FormulaC16H15NO5S2
Molecular Weight365.43 g/mol
Exact Mass365.04
IUPAC Name2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
SMILESO=C(O)C(CCS)NS(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H15NO5S2/c18-16(19)13(7-8-23)17-24(20,21)10-5-6-15-12(9-10)11-3-1-2-4-14(11)22-15/h1-6,9,13,17,23H,7-8H2,(H,18,19)
InChIKeyNOYWCELMDAGFET-UHFFFAOYSA-N
XLogP2.64
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
CID 54121910
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
benzyl N-[(4S,6S)-6-amino-8-(dibenzofuran-2-ylsulfonylamino)-7-hydroxy-2-methyl-5-oxononan-4-yl]carbamate
CID 70008201
N-(2-benzhydryl-6-sulfanylphenyl)dibenzofuran-2-sulfonamide
CID 173251817
(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

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid?
The IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid (CID 23288344) is 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid.
What is the SMILES notation for 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid?
The canonical SMILES for 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid is O=C(O)C(CCS)NS(=O)(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid?
The InChIKey is NOYWCELMDAGFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S2/c18-16(19)13(7-8-23)17-24(20,21)10-5-6-15-12(9-10)11-3-1-2-4-14(11)22-15/h1-6,9,13,17,23H,7-8H2,(H,18,19).
What are the key properties of 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid?
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid has a molecular weight of 365.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid is sourced from PubChem (CID 23288344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).