4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide

C14H14FN3O5S — CID 9476624

IUPAC4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O5S/c1-18(24(21,22)11-6-4-10(15)5-7-11)9-13(19)16-17-14(20)12-3-2-8-23-12/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyOUJXGOJYOYJOAB-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.50
Rot. Bonds5

About 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide

4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 9476624) has the molecular formula C14H14FN3O5S and a molecular weight of 355.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID9476624
Molecular FormulaC14H14FN3O5S
Molecular Weight355.35 g/mol
Exact Mass355.06
IUPAC Name4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O5S/c1-18(24(21,22)11-6-4-10(15)5-7-11)9-13(19)16-17-14(20)12-3-2-8-23-12/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyOUJXGOJYOYJOAB-UHFFFAOYSA-N
XLogP0.50
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24636719
N-[2-[2-[2-(3-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 4789278
N-[[4-[(furan-2-carbonylamino)carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 25499935
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55546945
4-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 27672446
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
CID 17434301
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9476583
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 9476624) is 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is CN(CC(=O)NNC(=O)c1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is OUJXGOJYOYJOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O5S/c1-18(24(21,22)11-6-4-10(15)5-7-11)9-13(19)16-17-14(20)12-3-2-8-23-12/h2-8H,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 355.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 9476624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).