5-(benzenesulfonylmethyl)furan-2-carbohydrazide

C12H12N2O4S — CID 4962170

IUPAC5-(benzenesulfonylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C12H12N2O4S/c13-14-12(15)11-7-6-9(18-11)8-19(16,17)10-4-2-1-3-5-10/h1-7H,8,13H2,(H,14,15)
InChIKeyVWAIJGGHQGXZQP-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.86
Rot. Bonds4

About 5-(benzenesulfonylmethyl)furan-2-carbohydrazide

5-(benzenesulfonylmethyl)furan-2-carbohydrazide (PubChem CID 4962170) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)furan-2-carbohydrazide
PubChem CID4962170
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name5-(benzenesulfonylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C12H12N2O4S/c13-14-12(15)11-7-6-9(18-11)8-19(16,17)10-4-2-1-3-5-10/h1-7H,8,13H2,(H,14,15)
InChIKeyVWAIJGGHQGXZQP-UHFFFAOYSA-N
XLogP0.86
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)furan-2-carbohydrazide?
The IUPAC name of 5-(benzenesulfonylmethyl)furan-2-carbohydrazide (CID 4962170) is 5-(benzenesulfonylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(benzenesulfonylmethyl)furan-2-carbohydrazide is NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)furan-2-carbohydrazide?
The InChIKey is VWAIJGGHQGXZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c13-14-12(15)11-7-6-9(18-11)8-19(16,17)10-4-2-1-3-5-10/h1-7H,8,13H2,(H,14,15).
What are the key properties of 5-(benzenesulfonylmethyl)furan-2-carbohydrazide?
5-(benzenesulfonylmethyl)furan-2-carbohydrazide has a molecular weight of 280.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 4962170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).