4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide

C16H17FN4O5S — CID 9078131

IUPAC4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESCN(CC(=O)NNC(=O)Cn1ccccc1=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O5S/c1-20(27(25,26)13-7-5-12(17)6-8-13)10-14(22)18-19-15(23)11-21-9-3-2-4-16(21)24/h2-9H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyAAANXEMKITUOFG-UHFFFAOYSA-N
MW396.40 g/mol
LogP-0.54
Rot. Bonds6

About 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide

4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 9078131) has the molecular formula C16H17FN4O5S and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide
PubChem CID9078131
Molecular FormulaC16H17FN4O5S
Molecular Weight396.40 g/mol
Exact Mass396.09
IUPAC Name4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESCN(CC(=O)NNC(=O)Cn1ccccc1=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O5S/c1-20(27(25,26)13-7-5-12(17)6-8-13)10-14(22)18-19-15(23)11-21-9-3-2-4-16(21)24/h2-9H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyAAANXEMKITUOFG-UHFFFAOYSA-N
XLogP-0.54
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide (CID 9078131) is 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide is CN(CC(=O)NNC(=O)Cn1ccccc1=O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is AAANXEMKITUOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O5S/c1-20(27(25,26)13-7-5-12(17)6-8-13)10-14(22)18-19-15(23)11-21-9-3-2-4-16(21)24/h2-9H,10-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 396.40 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 9078131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).