N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide

C11H9N3O7S — CID 43001007

IUPACN'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C11H9N3O7S/c15-9-4-3-7(6-8(9)14(17)18)22(19,20)13-12-11(16)10-2-1-5-21-10/h1-6,13,15H,(H,12,16)
InChIKeyNCCNIXVNGJLEIW-UHFFFAOYSA-N
MW327.27 g/mol
LogP0.52
Rot. Bonds5

About N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide

N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide (PubChem CID 43001007) has the molecular formula C11H9N3O7S and a molecular weight of 327.27 g/mol. Its IUPAC name is N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
PubChem CID43001007
Molecular FormulaC11H9N3O7S
Molecular Weight327.27 g/mol
Exact Mass327.02
IUPAC NameN'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C11H9N3O7S/c15-9-4-3-7(6-8(9)14(17)18)22(19,20)13-12-11(16)10-2-1-5-21-10/h1-6,13,15H,(H,12,16)
InChIKeyNCCNIXVNGJLEIW-UHFFFAOYSA-N
XLogP0.52
TPSA151.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
CID 8616849
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)furan-2-carbohydrazide
CID 8616962
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
CID 135347144
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
N'-(2,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616857
N-(4-cyanophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43000996

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
The IUPAC name of N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide (CID 43001007) is N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
The canonical SMILES for N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
The InChIKey is NCCNIXVNGJLEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O7S/c15-9-4-3-7(6-8(9)14(17)18)22(19,20)13-12-11(16)10-2-1-5-21-10/h1-6,13,15H,(H,12,16).
What are the key properties of N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide has a molecular weight of 327.27 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide is sourced from PubChem (CID 43001007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).