diazo(9H-fluoren-1-yl)methanesulfonic acid

C14H10N2O3S — CID 150163710

IUPACdiazo(9H-fluoren-1-yl)methanesulfonic acid
SMILES[N-]=[N+]=C(c1cccc2c1Cc1ccccc1-2)S(=O)(=O)O
InChIInChI=1S/C14H10N2O3S/c15-16-14(20(17,18)19)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,17,18,19)
InChIKeyFHYTWMBQKMETIL-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.12
Rot. Bonds1

About diazo(9H-fluoren-1-yl)methanesulfonic acid

diazo(9H-fluoren-1-yl)methanesulfonic acid (PubChem CID 150163710) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is diazo(9H-fluoren-1-yl)methanesulfonic acid.

Molecular Properties

Compound Namediazo(9H-fluoren-1-yl)methanesulfonic acid
PubChem CID150163710
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Namediazo(9H-fluoren-1-yl)methanesulfonic acid
SMILES[N-]=[N+]=C(c1cccc2c1Cc1ccccc1-2)S(=O)(=O)O
InChIInChI=1S/C14H10N2O3S/c15-16-14(20(17,18)19)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,17,18,19)
InChIKeyFHYTWMBQKMETIL-UHFFFAOYSA-N
XLogP2.12
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazo(9H-fluoren-1-yl)methanesulfonic acid?
The IUPAC name of diazo(9H-fluoren-1-yl)methanesulfonic acid (CID 150163710) is diazo(9H-fluoren-1-yl)methanesulfonic acid.
What is the SMILES notation for diazo(9H-fluoren-1-yl)methanesulfonic acid?
The canonical SMILES for diazo(9H-fluoren-1-yl)methanesulfonic acid is [N-]=[N+]=C(c1cccc2c1Cc1ccccc1-2)S(=O)(=O)O.
What is the InChIKey of diazo(9H-fluoren-1-yl)methanesulfonic acid?
The InChIKey is FHYTWMBQKMETIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c15-16-14(20(17,18)19)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,17,18,19).
What are the key properties of diazo(9H-fluoren-1-yl)methanesulfonic acid?
diazo(9H-fluoren-1-yl)methanesulfonic acid has a molecular weight of 286.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazo(9H-fluoren-1-yl)methanesulfonic acid is sourced from PubChem (CID 150163710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).