4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride

C9H9FN4O2S2 — CID 6172612

IUPAC4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride
SMILESCn1nc(-c2ccc(S(=O)(=O)F)cc2)s/c1=N/N
InChIInChI=1S/C9H9FN4O2S2/c1-14-9(12-11)17-8(13-14)6-2-4-7(5-3-6)18(10,15)16/h2-5H,11H2,1H3/b12-9+
InChIKeyVIVRIDQNHJKNBD-FMIVXFBMSA-N
MW288.33 g/mol
LogP0.58
Rot. Bonds2

About 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride

4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride (PubChem CID 6172612) has the molecular formula C9H9FN4O2S2 and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride
PubChem CID6172612
Molecular FormulaC9H9FN4O2S2
Molecular Weight288.33 g/mol
Exact Mass288.02
IUPAC Name4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride
SMILESCn1nc(-c2ccc(S(=O)(=O)F)cc2)s/c1=N/N
InChIInChI=1S/C9H9FN4O2S2/c1-14-9(12-11)17-8(13-14)6-2-4-7(5-3-6)18(10,15)16/h2-5H,11H2,1H3/b12-9+
InChIKeyVIVRIDQNHJKNBD-FMIVXFBMSA-N
XLogP0.58
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride?
The IUPAC name of 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride (CID 6172612) is 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride is Cn1nc(-c2ccc(S(=O)(=O)F)cc2)s/c1=N/N.
What is the InChIKey of 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride?
The InChIKey is VIVRIDQNHJKNBD-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H9FN4O2S2/c1-14-9(12-11)17-8(13-14)6-2-4-7(5-3-6)18(10,15)16/h2-5H,11H2,1H3/b12-9+.
What are the key properties of 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride?
4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride has a molecular weight of 288.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride is sourced from PubChem (CID 6172612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).