N'-ethylsulfonyl-2-fluorobenzohydrazide

C9H11FN2O3S — CID 90790457

IUPACN'-ethylsulfonyl-2-fluorobenzohydrazide
SMILESCCS(=O)(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C9H11FN2O3S/c1-2-16(14,15)12-11-9(13)7-5-3-4-6-8(7)10/h3-6,12H,2H2,1H3,(H,11,13)
InChIKeyRRKRUODKBVNCGM-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.41
Rot. Bonds4

About N'-ethylsulfonyl-2-fluorobenzohydrazide

N'-ethylsulfonyl-2-fluorobenzohydrazide (PubChem CID 90790457) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is N'-ethylsulfonyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-ethylsulfonyl-2-fluorobenzohydrazide
PubChem CID90790457
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC NameN'-ethylsulfonyl-2-fluorobenzohydrazide
SMILESCCS(=O)(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C9H11FN2O3S/c1-2-16(14,15)12-11-9(13)7-5-3-4-6-8(7)10/h3-6,12H,2H2,1H3,(H,11,13)
InChIKeyRRKRUODKBVNCGM-UHFFFAOYSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.41
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
2-(Hydrazinecarbonyl)benzenesulfonamide
CID 2490720
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461
4-Fluorobenzohydrazide
CID 9972
2-Fluorobenzhydrazide
CID 136288
Benzoic acid, 2-acetylhydrazide
CID 256983
3-Fluorobenzohydrazide
CID 351640
2-(N-(4-fluorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11304583
Sulfonyl urea 4d
CID 11339017
N'-butyl-4-fluorobenzohydrazide
CID 70438237

Frequently Asked Questions

What is the IUPAC name of N'-ethylsulfonyl-2-fluorobenzohydrazide?
The IUPAC name of N'-ethylsulfonyl-2-fluorobenzohydrazide (CID 90790457) is N'-ethylsulfonyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-ethylsulfonyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-ethylsulfonyl-2-fluorobenzohydrazide is CCS(=O)(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-ethylsulfonyl-2-fluorobenzohydrazide?
The InChIKey is RRKRUODKBVNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-2-16(14,15)12-11-9(13)7-5-3-4-6-8(7)10/h3-6,12H,2H2,1H3,(H,11,13).
What are the key properties of N'-ethylsulfonyl-2-fluorobenzohydrazide?
N'-ethylsulfonyl-2-fluorobenzohydrazide has a molecular weight of 246.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylsulfonyl-2-fluorobenzohydrazide is sourced from PubChem (CID 90790457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).