3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide

C11H15FN2O3S — CID 9164090

IUPAC3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O3S/c1-14(2)13-11(15)7-8-18(16,17)10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyYVBSOKKDZYBMGN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.58
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide

3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide (PubChem CID 9164090) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide
PubChem CID9164090
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O3S/c1-14(2)13-11(15)7-8-18(16,17)10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyYVBSOKKDZYBMGN-UHFFFAOYSA-N
XLogP0.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
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 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide (CID 9164090) is 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide?
The InChIKey is YVBSOKKDZYBMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-14(2)13-11(15)7-8-18(16,17)10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide?
3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide has a molecular weight of 274.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 9164090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).