N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide

C14H10F2N2O5S — CID 8523745

IUPACN'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10F2N2O5S/c15-10-3-2-9(6-11(10)16)24(20,21)18-17-14(19)8-1-4-12-13(5-8)23-7-22-12/h1-6,18H,7H2,(H,17,19)
InChIKeyZACURQHXAAXYRT-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.32
Rot. Bonds4

About N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide

N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide (PubChem CID 8523745) has the molecular formula C14H10F2N2O5S and a molecular weight of 356.31 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
PubChem CID8523745
Molecular FormulaC14H10F2N2O5S
Molecular Weight356.31 g/mol
Exact Mass356.03
IUPAC NameN'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10F2N2O5S/c15-10-3-2-9(6-11(10)16)24(20,21)18-17-14(19)8-1-4-12-13(5-8)23-7-22-12/h1-6,18H,7H2,(H,17,19)
InChIKeyZACURQHXAAXYRT-UHFFFAOYSA-N
XLogP1.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.32
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'-(2,4,6-trimethylphenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 17436088
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 24636529
N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 8523762
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9400374
N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 18125877
N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 8890859
N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide
CID 47952038
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
N'-(3,4-difluorophenyl)sulfonylacetohydrazide
CID 8500703
N-[(3,4-difluorophenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110781069
4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide
CID 47091237

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide (CID 8523745) is N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is ZACURQHXAAXYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O5S/c15-10-3-2-9(6-11(10)16)24(20,21)18-17-14(19)8-1-4-12-13(5-8)23-7-22-12/h1-6,18H,7H2,(H,17,19).
What are the key properties of N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 356.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 8523745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).