6-aminonaphthalene-2-sulfonyl fluoride

C10H8FNO2S — CID 86133425

IUPAC6-aminonaphthalene-2-sulfonyl fluoride
SMILESNc1ccc2cc(S(=O)(=O)F)ccc2c1
InChIInChI=1S/C10H8FNO2S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h1-6H,12H2
InChIKeyOCXZBOIBMNMTLS-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.08
Rot. Bonds1

About 6-aminonaphthalene-2-sulfonyl fluoride

6-aminonaphthalene-2-sulfonyl fluoride (PubChem CID 86133425) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 6-aminonaphthalene-2-sulfonyl fluoride.

Molecular Properties

Compound Name6-aminonaphthalene-2-sulfonyl fluoride
PubChem CID86133425
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name6-aminonaphthalene-2-sulfonyl fluoride
SMILESNc1ccc2cc(S(=O)(=O)F)ccc2c1
InChIInChI=1S/C10H8FNO2S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h1-6H,12H2
InChIKeyOCXZBOIBMNMTLS-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-aminonaphthalene-2-sulfonyl fluoride?
The IUPAC name of 6-aminonaphthalene-2-sulfonyl fluoride (CID 86133425) is 6-aminonaphthalene-2-sulfonyl fluoride.
What is the SMILES notation for 6-aminonaphthalene-2-sulfonyl fluoride?
The canonical SMILES for 6-aminonaphthalene-2-sulfonyl fluoride is Nc1ccc2cc(S(=O)(=O)F)ccc2c1.
What is the InChIKey of 6-aminonaphthalene-2-sulfonyl fluoride?
The InChIKey is OCXZBOIBMNMTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h1-6H,12H2.
What are the key properties of 6-aminonaphthalene-2-sulfonyl fluoride?
6-aminonaphthalene-2-sulfonyl fluoride has a molecular weight of 225.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminonaphthalene-2-sulfonyl fluoride is sourced from PubChem (CID 86133425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).