9H-fluoren-9-yl 4-aminobenzenesulfonate

C19H15NO3S — CID 174658078

IUPAC9H-fluoren-9-yl 4-aminobenzenesulfonate
SMILESNc1ccc(S(=O)(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C19H15NO3S/c20-13-9-11-14(12-10-13)24(21,22)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,20H2
InChIKeyAOPMZCCFDOCJEG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.74
Rot. Bonds3

About 9H-fluoren-9-yl 4-aminobenzenesulfonate

9H-fluoren-9-yl 4-aminobenzenesulfonate (PubChem CID 174658078) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 9H-fluoren-9-yl 4-aminobenzenesulfonate.

Molecular Properties

Compound Name9H-fluoren-9-yl 4-aminobenzenesulfonate
PubChem CID174658078
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name9H-fluoren-9-yl 4-aminobenzenesulfonate
SMILESNc1ccc(S(=O)(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C19H15NO3S/c20-13-9-11-14(12-10-13)24(21,22)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,20H2
InChIKeyAOPMZCCFDOCJEG-UHFFFAOYSA-N
XLogP3.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 4-aminobenzenesulfonate?
The IUPAC name of 9H-fluoren-9-yl 4-aminobenzenesulfonate (CID 174658078) is 9H-fluoren-9-yl 4-aminobenzenesulfonate.
What is the SMILES notation for 9H-fluoren-9-yl 4-aminobenzenesulfonate?
The canonical SMILES for 9H-fluoren-9-yl 4-aminobenzenesulfonate is Nc1ccc(S(=O)(=O)OC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-yl 4-aminobenzenesulfonate?
The InChIKey is AOPMZCCFDOCJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c20-13-9-11-14(12-10-13)24(21,22)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,20H2.
What are the key properties of 9H-fluoren-9-yl 4-aminobenzenesulfonate?
9H-fluoren-9-yl 4-aminobenzenesulfonate has a molecular weight of 337.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 4-aminobenzenesulfonate is sourced from PubChem (CID 174658078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).