N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide

C11H12FN3O4S — CID 8841184

IUPACN-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESO=C(NNS(=O)(=O)c1cccc(F)c1)C(=O)NC1CC1
InChIInChI=1S/C11H12FN3O4S/c12-7-2-1-3-9(6-7)20(18,19)15-14-11(17)10(16)13-8-4-5-8/h1-3,6,8,15H,4-5H2,(H,13,16)(H,14,17)
InChIKeyPCIVETYTQCQWDJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP-0.59
Rot. Bonds4

About N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide (PubChem CID 8841184) has the molecular formula C11H12FN3O4S and a molecular weight of 301.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
PubChem CID8841184
Molecular FormulaC11H12FN3O4S
Molecular Weight301.30 g/mol
Exact Mass301.05
IUPAC NameN-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESO=C(NNS(=O)(=O)c1cccc(F)c1)C(=O)NC1CC1
InChIInChI=1S/C11H12FN3O4S/c12-7-2-1-3-9(6-7)20(18,19)15-14-11(17)10(16)13-8-4-5-8/h1-3,6,8,15H,4-5H2,(H,13,16)(H,14,17)
InChIKeyPCIVETYTQCQWDJ-UHFFFAOYSA-N
XLogP-0.59
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide (CID 8841184) is N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide is O=C(NNS(=O)(=O)c1cccc(F)c1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The InChIKey is PCIVETYTQCQWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4S/c12-7-2-1-3-9(6-7)20(18,19)15-14-11(17)10(16)13-8-4-5-8/h1-3,6,8,15H,4-5H2,(H,13,16)(H,14,17).
What are the key properties of N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide has a molecular weight of 301.30 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 8841184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).