N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide

C9H10ClFN2O3S — CID 8505508

IUPACN'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFN2O3S/c1-2-9(14)12-13-17(15,16)8-4-3-6(10)5-7(8)11/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyHGNNTWZXRKMMGW-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.20
Rot. Bonds4

About N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide

N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide (PubChem CID 8505508) has the molecular formula C9H10ClFN2O3S and a molecular weight of 280.71 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide
PubChem CID8505508
Molecular FormulaC9H10ClFN2O3S
Molecular Weight280.71 g/mol
Exact Mass280.01
IUPAC NameN'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFN2O3S/c1-2-9(14)12-13-17(15,16)8-4-3-6(10)5-7(8)11/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyHGNNTWZXRKMMGW-UHFFFAOYSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide (CID 8505508) is N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide is CCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide?
The InChIKey is HGNNTWZXRKMMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O3S/c1-2-9(14)12-13-17(15,16)8-4-3-6(10)5-7(8)11/h3-5,13H,2H2,1H3,(H,12,14).
What are the key properties of N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide?
N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide has a molecular weight of 280.71 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 8505508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).