N-hydroxy-5-methylfuran-2-sulfonamide

C5H7NO4S — CID 76685198

IUPACN-hydroxy-5-methylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NO)o1
InChIInChI=1S/C5H7NO4S/c1-4-2-3-5(10-4)11(8,9)6-7/h2-3,6-7H,1H3
InChIKeyLIXKIXWSKOENAB-UHFFFAOYSA-N
MW177.18 g/mol
LogP0.26
Rot. Bonds2

About N-hydroxy-5-methylfuran-2-sulfonamide

N-hydroxy-5-methylfuran-2-sulfonamide (PubChem CID 76685198) has the molecular formula C5H7NO4S and a molecular weight of 177.18 g/mol. Its IUPAC name is N-hydroxy-5-methylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-5-methylfuran-2-sulfonamide
PubChem CID76685198
Molecular FormulaC5H7NO4S
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC NameN-hydroxy-5-methylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NO)o1
InChIInChI=1S/C5H7NO4S/c1-4-2-3-5(10-4)11(8,9)6-7/h2-3,6-7H,1H3
InChIKeyLIXKIXWSKOENAB-UHFFFAOYSA-N
XLogP0.26
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methylfuran-2-sulfonamide?
The IUPAC name of N-hydroxy-5-methylfuran-2-sulfonamide (CID 76685198) is N-hydroxy-5-methylfuran-2-sulfonamide.
What is the SMILES notation for N-hydroxy-5-methylfuran-2-sulfonamide?
The canonical SMILES for N-hydroxy-5-methylfuran-2-sulfonamide is Cc1ccc(S(=O)(=O)NO)o1.
What is the InChIKey of N-hydroxy-5-methylfuran-2-sulfonamide?
The InChIKey is LIXKIXWSKOENAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4S/c1-4-2-3-5(10-4)11(8,9)6-7/h2-3,6-7H,1H3.
What are the key properties of N-hydroxy-5-methylfuran-2-sulfonamide?
N-hydroxy-5-methylfuran-2-sulfonamide has a molecular weight of 177.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methylfuran-2-sulfonamide is sourced from PubChem (CID 76685198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).