4-(furan-2-ylsulfonylamino)butanoic acid

C8H11NO5S — CID 68573622

IUPAC4-(furan-2-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccco1
InChIInChI=1S/C8H11NO5S/c10-7(11)3-1-5-9-15(12,13)8-4-2-6-14-8/h2,4,6,9H,1,3,5H2,(H,10,11)
InChIKeyNZBACTXQNXSDNW-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.42
Rot. Bonds6

About 4-(furan-2-ylsulfonylamino)butanoic acid

4-(furan-2-ylsulfonylamino)butanoic acid (PubChem CID 68573622) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-(furan-2-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(furan-2-ylsulfonylamino)butanoic acid
PubChem CID68573622
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name4-(furan-2-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccco1
InChIInChI=1S/C8H11NO5S/c10-7(11)3-1-5-9-15(12,13)8-4-2-6-14-8/h2,4,6,9H,1,3,5H2,(H,10,11)
InChIKeyNZBACTXQNXSDNW-UHFFFAOYSA-N
XLogP0.42
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentylfuran-2-sulfonamide
CID 21064582
4-(pyridin-2-ylsulfonylamino)butanoic acid
CID 122067598
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid
CID 43091508
4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
CID 122067599
(Z)-9-(benzenesulfonamido)non-5-enoic acid
CID 15052909
4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 100820374
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 2437240
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-(furan-2-ylsulfonylamino)butanoic acid (CID 68573622) is 4-(furan-2-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(furan-2-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(furan-2-ylsulfonylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)c1ccco1.
What is the InChIKey of 4-(furan-2-ylsulfonylamino)butanoic acid?
The InChIKey is NZBACTXQNXSDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c10-7(11)3-1-5-9-15(12,13)8-4-2-6-14-8/h2,4,6,9H,1,3,5H2,(H,10,11).
What are the key properties of 4-(furan-2-ylsulfonylamino)butanoic acid?
4-(furan-2-ylsulfonylamino)butanoic acid has a molecular weight of 233.24 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 68573622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).