(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate

C21H16O3S — CID 139754686

IUPAC(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C21H16O3S/c1-25(22,23)24-20-14-13-16-8-3-5-11-18(16)21(20)19-12-6-9-15-7-2-4-10-17(15)19/h2-14H,1H3
InChIKeyXFPVLCSYOMGAFZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.00
Rot. Bonds3

About (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate

(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate (PubChem CID 139754686) has the molecular formula C21H16O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate.

Molecular Properties

Compound Name(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate
PubChem CID139754686
Molecular FormulaC21H16O3S
Molecular Weight348.42 g/mol
Exact Mass348.08
IUPAC Name(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C21H16O3S/c1-25(22,23)24-20-14-13-16-8-3-5-11-18(16)21(20)19-12-6-9-15-7-2-4-10-17(15)19/h2-14H,1H3
InChIKeyXFPVLCSYOMGAFZ-UHFFFAOYSA-N
XLogP5.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy-methyl-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane
CID 143270912
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
[1-(2-sulfooxynaphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate
CID 67157811
(1-pyren-1-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 132538037
(5-methylsulfonyloxynaphthalen-1-yl) methanesulfonate
CID 7314056
[2,3-bis(methylsulfonyloxy)phenyl] methanesulfonate
CID 159669792
(1-naphthalen-1-ylnaphthalen-2-yl)oxy-diphenylphosphane
CID 150565289
phenanthren-9-yl methanesulfonate
CID 18424515
(7-fluoronaphthalen-1-yl) methanesulfonate
CID 87898850
(1-phenanthren-9-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 132538036
(1,3-dioxobenzo[e]isoindol-4-yl) methanesulfonate
CID 87189525
[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate
CID 11215928

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate?
The IUPAC name of (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate (CID 139754686) is (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate.
What is the SMILES notation for (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate?
The canonical SMILES for (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate is CS(=O)(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate?
The InChIKey is XFPVLCSYOMGAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3S/c1-25(22,23)24-20-14-13-16-8-3-5-11-18(16)21(20)19-12-6-9-15-7-2-4-10-17(15)19/h2-14H,1H3.
What are the key properties of (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate?
(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate has a molecular weight of 348.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate is sourced from PubChem (CID 139754686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).