N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide

C11H8Cl2N2O4S — CID 8616927

IUPACN'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C11H8Cl2N2O4S/c12-7-4-8(13)6-9(5-7)20(17,18)15-14-11(16)10-2-1-3-19-10/h1-6,15H,(H,14,16)
InChIKeyUZYFBNDWXAVWOW-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.21
Rot. Bonds4

About N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide

N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide (PubChem CID 8616927) has the molecular formula C11H8Cl2N2O4S and a molecular weight of 335.17 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
PubChem CID8616927
Molecular FormulaC11H8Cl2N2O4S
Molecular Weight335.17 g/mol
Exact Mass333.96
IUPAC NameN'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C11H8Cl2N2O4S/c12-7-4-8(13)6-9(5-7)20(17,18)15-14-11(16)10-2-1-3-19-10/h1-6,15H,(H,14,16)
InChIKeyUZYFBNDWXAVWOW-UHFFFAOYSA-N
XLogP2.21
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide?
The IUPAC name of N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide (CID 8616927) is N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide is O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccco1.
What is the InChIKey of N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide?
The InChIKey is UZYFBNDWXAVWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O4S/c12-7-4-8(13)6-9(5-7)20(17,18)15-14-11(16)10-2-1-3-19-10/h1-6,15H,(H,14,16).
What are the key properties of N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide?
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide has a molecular weight of 335.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide is sourced from PubChem (CID 8616927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).