N'-(benzenesulfonyl)-3-fluorobenzohydrazide

C13H11FN2O3S — CID 809461

IUPACN'-(benzenesulfonyl)-3-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C13H11FN2O3S/c14-11-6-4-5-10(9-11)13(17)15-16-20(18,19)12-7-2-1-3-8-12/h1-9,16H,(H,15,17)
InChIKeyVNRXRSLCHAZSDI-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.45
Rot. Bonds4

About N'-(benzenesulfonyl)-3-fluorobenzohydrazide

N'-(benzenesulfonyl)-3-fluorobenzohydrazide (PubChem CID 809461) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-fluorobenzohydrazide
PubChem CID809461
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC NameN'-(benzenesulfonyl)-3-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C13H11FN2O3S/c14-11-6-4-5-10(9-11)13(17)15-16-20(18,19)12-7-2-1-3-8-12/h1-9,16H,(H,15,17)
InChIKeyVNRXRSLCHAZSDI-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Hydrazinecarbonyl)benzenesulfonamide
CID 318174
Benzoic acid, 2-benzoylhydrazide
CID 13085
4-(Aminosulfonyl)benzamide
CID 80563
Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 877350
2-(Hydrazinecarbonyl)benzenesulfonamide
CID 2490720
N-{[(benzenesulfonyl)carbamoyl]amino}-2-sulfamoylbenzamide
CID 11188711
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 124132190
(1,1'-Biphenyl)-3-carboxylic acid, 4-fluoro-5-methyl-, 2-(phenylsulfonyl)hydrazide
CID 133053564
N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 134581289
N'-(4-Fluorobiphenyl-3-carbonyl)benzenesulfonohydrazide
CID 134581360

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-fluorobenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-fluorobenzohydrazide (CID 809461) is N'-(benzenesulfonyl)-3-fluorobenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-fluorobenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-fluorobenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-fluorobenzohydrazide?
The InChIKey is VNRXRSLCHAZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-11-6-4-5-10(9-11)13(17)15-16-20(18,19)12-7-2-1-3-8-12/h1-9,16H,(H,15,17).
What are the key properties of N'-(benzenesulfonyl)-3-fluorobenzohydrazide?
N'-(benzenesulfonyl)-3-fluorobenzohydrazide has a molecular weight of 294.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-fluorobenzohydrazide is sourced from PubChem (CID 809461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).