N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide

C12H8F4N2O2S — CID 2478133

IUPACN'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1c(F)c(F)cc(F)c1F)c1ccccc1
InChIInChI=1S/C12H8F4N2O2S/c13-8-6-9(14)11(16)12(10(8)15)17-18-21(19,20)7-4-2-1-3-5-7/h1-6,17-18H
InChIKeyKOHZVAGXAYOJMQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.55
Rot. Bonds4

About N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide

N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide (PubChem CID 2478133) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide
PubChem CID2478133
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC NameN'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1c(F)c(F)cc(F)c1F)c1ccccc1
InChIInChI=1S/C12H8F4N2O2S/c13-8-6-9(14)11(16)12(10(8)15)17-18-21(19,20)7-4-2-1-3-5-7/h1-6,17-18H
InChIKeyKOHZVAGXAYOJMQ-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-aminobenzenesulfonohydrazide
CID 53420328
N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide
CID 134581072
3,4-dichloro-N'-(2-chloro-6-fluorophenyl)benzenesulfonohydrazide
CID 2743290
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23098353
N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide
CID 164941165
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
CID 86792679
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577
N-[2,3,4,5-tetrafluoro-6-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
CID 23217439

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide?
The IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide (CID 2478133) is N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide.
What is the SMILES notation for N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide?
The canonical SMILES for N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide is O=S(=O)(NNc1c(F)c(F)cc(F)c1F)c1ccccc1.
What is the InChIKey of N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide?
The InChIKey is KOHZVAGXAYOJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-8-6-9(14)11(16)12(10(8)15)17-18-21(19,20)7-4-2-1-3-5-7/h1-6,17-18H.
What are the key properties of N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide?
N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide has a molecular weight of 320.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide is sourced from PubChem (CID 2478133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).