anthracene-1-sulfonic acid;hydrofluoride

C14H11FO3S — CID 174515955

IUPACanthracene-1-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H10O3S.FH/c15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;/h1-9H,(H,15,16,17);1H
InChIKeyTZTXIEZRKGGXIL-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.39
Rot. Bonds1

About anthracene-1-sulfonic acid;hydrofluoride

anthracene-1-sulfonic acid;hydrofluoride (PubChem CID 174515955) has the molecular formula C14H11FO3S and a molecular weight of 278.30 g/mol. Its IUPAC name is anthracene-1-sulfonic acid;hydrofluoride.

Molecular Properties

Compound Nameanthracene-1-sulfonic acid;hydrofluoride
PubChem CID174515955
Molecular FormulaC14H11FO3S
Molecular Weight278.30 g/mol
Exact Mass278.04
IUPAC Nameanthracene-1-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H10O3S.FH/c15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;/h1-9H,(H,15,16,17);1H
InChIKeyTZTXIEZRKGGXIL-UHFFFAOYSA-N
XLogP3.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze anthracene-1-sulfonic acid;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 159682573
CID 159682573
naphthalene-1-sulfonic acid
CID 158712346
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
CID 173016081
CID 173016081
CID 87599032
CID 87599032
methanamine;naphthalene-1-sulfonic acid
CID 174421353
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
naphthalene-1-sulfonic acid;phosphoric acid
CID 157288901

Frequently Asked Questions

What is the IUPAC name of anthracene-1-sulfonic acid;hydrofluoride?
The IUPAC name of anthracene-1-sulfonic acid;hydrofluoride (CID 174515955) is anthracene-1-sulfonic acid;hydrofluoride.
What is the SMILES notation for anthracene-1-sulfonic acid;hydrofluoride?
The canonical SMILES for anthracene-1-sulfonic acid;hydrofluoride is F.O=S(=O)(O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracene-1-sulfonic acid;hydrofluoride?
The InChIKey is TZTXIEZRKGGXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S.FH/c15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;/h1-9H,(H,15,16,17);1H.
What are the key properties of anthracene-1-sulfonic acid;hydrofluoride?
anthracene-1-sulfonic acid;hydrofluoride has a molecular weight of 278.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1-sulfonic acid;hydrofluoride is sourced from PubChem (CID 174515955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).