N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide

C13H11FN4O2S — CID 134581072

IUPACN'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1n[nH]c2cccc(F)c12)c1ccccc1
InChIInChI=1S/C13H11FN4O2S/c14-10-7-4-8-11-12(10)13(16-15-11)17-18-21(19,20)9-5-2-1-3-6-9/h1-8,18H,(H2,15,16,17)
InChIKeyGFTWBZDLAXPQGJ-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.01
Rot. Bonds4

About N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide

N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide (PubChem CID 134581072) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide
PubChem CID134581072
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC NameN'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1n[nH]c2cccc(F)c12)c1ccccc1
InChIInChI=1S/C13H11FN4O2S/c14-10-7-4-8-11-12(10)13(16-15-11)17-18-21(19,20)9-5-2-1-3-6-9/h1-8,18H,(H2,15,16,17)
InChIKeyGFTWBZDLAXPQGJ-UHFFFAOYSA-N
XLogP2.01
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide
CID 2806039
2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
CID 110470956
N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide
CID 2478133
N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
CID 110470290
N-(4-fluoro-1H-indazol-3-yl)but-2-enamide
CID 171141234
N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 167980675
5-fluoro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 21467007
3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686573
N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 101253878
N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119304839
N-(4-fluoro-1H-indazol-3-yl)pyrazine-2-carboxamide
CID 51102709
N'-aminobenzenesulfonohydrazide
CID 53420328

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide?
The IUPAC name of N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide (CID 134581072) is N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide.
What is the SMILES notation for N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide?
The canonical SMILES for N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide is O=S(=O)(NNc1n[nH]c2cccc(F)c12)c1ccccc1.
What is the InChIKey of N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide?
The InChIKey is GFTWBZDLAXPQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c14-10-7-4-8-11-12(10)13(16-15-11)17-18-21(19,20)9-5-2-1-3-6-9/h1-8,18H,(H2,15,16,17).
What are the key properties of N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide?
N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide has a molecular weight of 306.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide is sourced from PubChem (CID 134581072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).