naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid

C11H10O8S3 — CID 174385765

IUPACnaphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid
SMILESO=S(O)OS(=O)(=O)C(c1cccc2ccccc12)S(=O)(=O)O
InChIInChI=1S/C11H10O8S3/c12-20(13)19-22(17,18)11(21(14,15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,12,13)(H,14,15,16)
InChIKeyWSYYBYBUONXAPJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.21
Rot. Bonds5

About naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid

naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid (PubChem CID 174385765) has the molecular formula C11H10O8S3 and a molecular weight of 366.39 g/mol. Its IUPAC name is naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid.

Molecular Properties

Compound Namenaphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid
PubChem CID174385765
Molecular FormulaC11H10O8S3
Molecular Weight366.39 g/mol
Exact Mass365.95
IUPAC Namenaphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid
SMILESO=S(O)OS(=O)(=O)C(c1cccc2ccccc12)S(=O)(=O)O
InChIInChI=1S/C11H10O8S3/c12-20(13)19-22(17,18)11(21(14,15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,12,13)(H,14,15,16)
InChIKeyWSYYBYBUONXAPJ-UHFFFAOYSA-N
XLogP1.21
TPSA135.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid 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

[hydroxy(naphthalen-1-yl)methyl] hydrogen sulfite
CID 174247973
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
methoxy(naphthalen-1-yl)methanesulfinic acid
CID 68566933
2-naphthalen-1-yl-2-oxoethane-1,1-disulfonic acid
CID 87145288
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate
CID 174434530
azane;1-naphthalen-1-ylethyl trifluoromethanesulfonate
CID 174992561
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
sodium dinaphthalen-1-ylmethanesulfonate
CID 23674026
naphthalen-1-yl(phenyl)methanesulfinate
CID 68567168
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid?
The IUPAC name of naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid (CID 174385765) is naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid.
What is the SMILES notation for naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid?
The canonical SMILES for naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid is O=S(O)OS(=O)(=O)C(c1cccc2ccccc12)S(=O)(=O)O.
What is the InChIKey of naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid?
The InChIKey is WSYYBYBUONXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O8S3/c12-20(13)19-22(17,18)11(21(14,15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,12,13)(H,14,15,16).
What are the key properties of naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid?
naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid has a molecular weight of 366.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(sulfinooxysulfonyl)methanesulfonic acid is sourced from PubChem (CID 174385765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).