N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide

C14H12F3N3O3S — CID 166200572

IUPACN-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)NNc1ccc(F)cc1F
InChIInChI=1S/C14H12F3N3O3S/c15-9-1-4-11(5-2-9)24(22,23)18-8-14(21)20-19-13-6-3-10(16)7-12(13)17/h1-7,18-19H,8H2,(H,20,21)
InChIKeyDWTKSHKADDRRLK-UHFFFAOYSA-N
MW359.33 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide

N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide (PubChem CID 166200572) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
PubChem CID166200572
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC NameN-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)NNc1ccc(F)cc1F
InChIInChI=1S/C14H12F3N3O3S/c15-9-1-4-11(5-2-9)24(22,23)18-8-14(21)20-19-13-6-3-10(16)7-12(13)17/h1-7,18-19H,8H2,(H,20,21)
InChIKeyDWTKSHKADDRRLK-UHFFFAOYSA-N
XLogP1.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 772291
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
N-(2,4-difluorophenyl)-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
CID 9164959
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9339566
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
2-[(4-fluorophenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 126134237
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9400374
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 113000885
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide (CID 166200572) is N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1)NNc1ccc(F)cc1F.
What is the InChIKey of N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The InChIKey is DWTKSHKADDRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c15-9-1-4-11(5-2-9)24(22,23)18-8-14(21)20-19-13-6-3-10(16)7-12(13)17/h1-7,18-19H,8H2,(H,20,21).
What are the key properties of N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide has a molecular weight of 359.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-difluorophenyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 166200572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).