4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide

C18H20FN3O4S — CID 9220784

IUPAC4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13-5-2-3-6-16(13)18(24)22-21-17(23)7-4-12-20-27(25,26)15-10-8-14(19)9-11-15/h2-3,5-6,8-11,20H,4,7,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyIZLIJADFMAYBRM-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.65
Rot. Bonds7

About 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide

4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide (PubChem CID 9220784) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
PubChem CID9220784
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13-5-2-3-6-16(13)18(24)22-21-17(23)7-4-12-20-27(25,26)15-10-8-14(19)9-11-15/h2-3,5-6,8-11,20H,4,7,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyIZLIJADFMAYBRM-UHFFFAOYSA-N
XLogP1.65
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide
CID 24642957
N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide
CID 71263439
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9339566
2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
CID 47077414
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
CID 10810370
3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 27698576

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide (CID 9220784) is 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide is Cc1ccccc1C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide?
The InChIKey is IZLIJADFMAYBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-13-5-2-3-6-16(13)18(24)22-21-17(23)7-4-12-20-27(25,26)15-10-8-14(19)9-11-15/h2-3,5-6,8-11,20H,4,7,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide?
4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide has a molecular weight of 393.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide is sourced from PubChem (CID 9220784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).