N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide

C23H21FN4O5S — CID 27690298

IUPACN-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21FN4O5S/c24-19-11-9-17(10-12-19)22(30)25-15-21(29)27-28-23(31)18-7-4-8-20(13-18)34(32,33)26-14-16-5-2-1-3-6-16/h1-13,26H,14-15H2,(H,25,30)(H,27,29)(H,28,31)
InChIKeySBNJDSWUKKLSCM-UHFFFAOYSA-N
MW484.51 g/mol
LogP1.50
Rot. Bonds8

About N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide

N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 27690298) has the molecular formula C23H21FN4O5S and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID27690298
Molecular FormulaC23H21FN4O5S
Molecular Weight484.51 g/mol
Exact Mass484.12
IUPAC NameN-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21FN4O5S/c24-19-11-9-17(10-12-19)22(30)25-15-21(29)27-28-23(31)18-7-4-8-20(13-18)34(32,33)26-14-16-5-2-1-3-6-16/h1-13,26H,14-15H2,(H,25,30)(H,27,29)(H,28,31)
InChIKeySBNJDSWUKKLSCM-UHFFFAOYSA-N
XLogP1.50
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 51.50
H-Bond Donors ≤ 54
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-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496
N-benzyl-3-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 26826500
N-benzyl-3-[[(3-methoxy-4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26587155
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26826505
N-benzyl-3-[[(4-fluoro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 43016972
N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 39901705

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide (CID 27690298) is N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is SBNJDSWUKKLSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O5S/c24-19-11-9-17(10-12-19)22(30)25-15-21(29)27-28-23(31)18-7-4-8-20(13-18)34(32,33)26-14-16-5-2-1-3-6-16/h1-13,26H,14-15H2,(H,25,30)(H,27,29)(H,28,31).
What are the key properties of N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 484.51 g/mol, XLogP of 1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 27690298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).