N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide

C13H12N2O6S — CID 8616849

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C13H12N2O6S/c16-13(11-2-1-5-19-11)14-15-22(17,18)9-3-4-10-12(8-9)21-7-6-20-10/h1-5,8,15H,6-7H2,(H,14,16)
InChIKeyVHCPGLHKFJEYSG-UHFFFAOYSA-N
MW324.31 g/mol
LogP0.67
Rot. Bonds4

About N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide

N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide (PubChem CID 8616849) has the molecular formula C13H12N2O6S and a molecular weight of 324.31 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
PubChem CID8616849
Molecular FormulaC13H12N2O6S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C13H12N2O6S/c16-13(11-2-1-5-19-11)14-15-22(17,18)9-3-4-10-12(8-9)21-7-6-20-10/h1-5,8,15H,6-7H2,(H,14,16)
InChIKeyVHCPGLHKFJEYSG-UHFFFAOYSA-N
XLogP0.67
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)furan-2-carbohydrazide
CID 8616962
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-hydroxybenzohydrazide
CID 8511209
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
CID 8523809
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 43001007
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)quinoline-2-carbohydrazide
CID 31324308
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 18125877

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide (CID 8616849) is N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide?
The InChIKey is VHCPGLHKFJEYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6S/c16-13(11-2-1-5-19-11)14-15-22(17,18)9-3-4-10-12(8-9)21-7-6-20-10/h1-5,8,15H,6-7H2,(H,14,16).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide?
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide has a molecular weight of 324.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide is sourced from PubChem (CID 8616849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).