4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide

C11H13FN2O4S — CID 47220995

IUPAC4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide
SMILESCC(C(=O)NNC(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C11H13FN2O4S/c1-7(19(2,17)18)10(15)13-14-11(16)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyRHOGLQFMVKDGON-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.02
Rot. Bonds3

About 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide

4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide (PubChem CID 47220995) has the molecular formula C11H13FN2O4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide
PubChem CID47220995
Molecular FormulaC11H13FN2O4S
Molecular Weight288.30 g/mol
Exact Mass288.06
IUPAC Name4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide
SMILESCC(C(=O)NNC(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C11H13FN2O4S/c1-7(19(2,17)18)10(15)13-14-11(16)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyRHOGLQFMVKDGON-UHFFFAOYSA-N
XLogP0.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.02
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 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide (CID 47220995) is 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide is CC(C(=O)NNC(=O)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide?
The InChIKey is RHOGLQFMVKDGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4S/c1-7(19(2,17)18)10(15)13-14-11(16)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide?
4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide has a molecular weight of 288.30 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(2-methylsulfonylpropanoyl)benzohydrazide is sourced from PubChem (CID 47220995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).