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

C12H14N2O5S — CID 8523809

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H14N2O5S/c15-12(8-1-2-8)13-14-20(16,17)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8,14H,1-2,5-6H2,(H,13,15)
InChIKeyWPUUBNOWONGPEQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.18
Rot. Bonds4

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

N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide (PubChem CID 8523809) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
PubChem CID8523809
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H14N2O5S/c15-12(8-1-2-8)13-14-20(16,17)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8,14H,1-2,5-6H2,(H,13,15)
InChIKeyWPUUBNOWONGPEQ-UHFFFAOYSA-N
XLogP0.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
CID 8616849
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]oxane-4-carboxamide
CID 55376695
3-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)but-2-enamide
CID 126802014
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone
CID 64643185
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]cyclopentanecarboxamide
CID 9330132
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-hydroxybenzohydrazide
CID 8511209
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid
CID 1083525
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)furan-2-carbohydrazide
CID 8616962
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
N-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55543134

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide (CID 8523809) is N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide is O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide?
The InChIKey is WPUUBNOWONGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c15-12(8-1-2-8)13-14-20(16,17)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8,14H,1-2,5-6H2,(H,13,15).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide?
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide has a molecular weight of 298.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide is sourced from PubChem (CID 8523809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).