3-fluoro-4-hydrazinylbenzenesulfonamide

C6H8FN3O2S — CID 10932611

IUPAC3-fluoro-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C6H8FN3O2S/c7-5-3-4(13(9,11)12)1-2-6(5)10-8/h1-3,10H,8H2,(H2,9,11,12)
InChIKeyIDSRHQBHQWPDNY-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.24
Rot. Bonds2

About 3-fluoro-4-hydrazinylbenzenesulfonamide

3-fluoro-4-hydrazinylbenzenesulfonamide (PubChem CID 10932611) has the molecular formula C6H8FN3O2S and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-fluoro-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-hydrazinylbenzenesulfonamide
PubChem CID10932611
Molecular FormulaC6H8FN3O2S
Molecular Weight205.21 g/mol
Exact Mass205.03
IUPAC Name3-fluoro-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C6H8FN3O2S/c7-5-3-4(13(9,11)12)1-2-6(5)10-8/h1-3,10H,8H2,(H2,9,11,12)
InChIKeyIDSRHQBHQWPDNY-UHFFFAOYSA-N
XLogP-0.24
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydrazinylbenzenesulfonamide?
The IUPAC name of 3-fluoro-4-hydrazinylbenzenesulfonamide (CID 10932611) is 3-fluoro-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-hydrazinylbenzenesulfonamide is NNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-hydrazinylbenzenesulfonamide?
The InChIKey is IDSRHQBHQWPDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2S/c7-5-3-4(13(9,11)12)1-2-6(5)10-8/h1-3,10H,8H2,(H2,9,11,12).
What are the key properties of 3-fluoro-4-hydrazinylbenzenesulfonamide?
3-fluoro-4-hydrazinylbenzenesulfonamide has a molecular weight of 205.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 10932611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).