2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide

C8H7FN6O4S2 — CID 114912901

IUPAC2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C8H7FN6O4S2/c9-5-1-4(15(16)17)2-6(12-10)8(5)21(18,19)13-7-3-11-14-20-7/h1-3,12-13H,10H2
InChIKeyVUGVTCANWJVKMY-UHFFFAOYSA-N
MW334.31 g/mol
LogP0.67
Rot. Bonds5

About 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide

2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114912901) has the molecular formula C8H7FN6O4S2 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114912901
Molecular FormulaC8H7FN6O4S2
Molecular Weight334.31 g/mol
Exact Mass334.00
IUPAC Name2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C8H7FN6O4S2/c9-5-1-4(15(16)17)2-6(12-10)8(5)21(18,19)13-7-3-11-14-20-7/h1-3,12-13H,10H2
InChIKeyVUGVTCANWJVKMY-UHFFFAOYSA-N
XLogP0.67
TPSA153.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114912901) is 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide is NNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)Nc1cnns1.
What is the InChIKey of 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is VUGVTCANWJVKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN6O4S2/c9-5-1-4(15(16)17)2-6(12-10)8(5)21(18,19)13-7-3-11-14-20-7/h1-3,12-13H,10H2.
What are the key properties of 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 334.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).