(9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate

C15H14N2O6S2 — CID 56688871

IUPAC(9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2c(c1)C(=NN)c1cc(OS(C)(=O)=O)ccc1-2
InChIInChI=1S/C15H14N2O6S2/c1-24(18,19)22-9-3-5-11-12-6-4-10(23-25(2,20)21)8-14(12)15(17-16)13(11)7-9/h3-8H,16H2,1-2H3
InChIKeySVUQZMBAQOWGCC-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.05
Rot. Bonds4

About (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate

(9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate (PubChem CID 56688871) has the molecular formula C15H14N2O6S2 and a molecular weight of 382.42 g/mol. Its IUPAC name is (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate.

Molecular Properties

Compound Name(9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate
PubChem CID56688871
Molecular FormulaC15H14N2O6S2
Molecular Weight382.42 g/mol
Exact Mass382.03
IUPAC Name(9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2c(c1)C(=NN)c1cc(OS(C)(=O)=O)ccc1-2
InChIInChI=1S/C15H14N2O6S2/c1-24(18,19)22-9-3-5-11-12-6-4-10(23-25(2,20)21)8-14(12)15(17-16)13(11)7-9/h3-8H,16H2,1-2H3
InChIKeySVUQZMBAQOWGCC-UHFFFAOYSA-N
XLogP1.05
TPSA125.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate?
The IUPAC name of (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate (CID 56688871) is (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate.
What is the SMILES notation for (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate?
The canonical SMILES for (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate is CS(=O)(=O)Oc1ccc2c(c1)C(=NN)c1cc(OS(C)(=O)=O)ccc1-2.
What is the InChIKey of (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate?
The InChIKey is SVUQZMBAQOWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6S2/c1-24(18,19)22-9-3-5-11-12-6-4-10(23-25(2,20)21)8-14(12)15(17-16)13(11)7-9/h3-8H,16H2,1-2H3.
What are the key properties of (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate?
(9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate has a molecular weight of 382.42 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hydrazinylidene-7-methylsulfonyloxyfluoren-2-yl) methanesulfonate is sourced from PubChem (CID 56688871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).