naphthalen-2-yl 2,3-difluorobenzenesulfonate

C16H10F2O3S — CID 52857029

IUPACnaphthalen-2-yl 2,3-difluorobenzenesulfonate
SMILESO=S(=O)(Oc1ccc2ccccc2c1)c1cccc(F)c1F
InChIInChI=1S/C16H10F2O3S/c17-14-6-3-7-15(16(14)18)22(19,20)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H
InChIKeyVGVCJORULKQQMH-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.89
Rot. Bonds3

About naphthalen-2-yl 2,3-difluorobenzenesulfonate

naphthalen-2-yl 2,3-difluorobenzenesulfonate (PubChem CID 52857029) has the molecular formula C16H10F2O3S and a molecular weight of 320.32 g/mol. Its IUPAC name is naphthalen-2-yl 2,3-difluorobenzenesulfonate.

Molecular Properties

Compound Namenaphthalen-2-yl 2,3-difluorobenzenesulfonate
PubChem CID52857029
Molecular FormulaC16H10F2O3S
Molecular Weight320.32 g/mol
Exact Mass320.03
IUPAC Namenaphthalen-2-yl 2,3-difluorobenzenesulfonate
SMILESO=S(=O)(Oc1ccc2ccccc2c1)c1cccc(F)c1F
InChIInChI=1S/C16H10F2O3S/c17-14-6-3-7-15(16(14)18)22(19,20)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H
InChIKeyVGVCJORULKQQMH-UHFFFAOYSA-N
XLogP3.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze naphthalen-2-yl 2,3-difluorobenzenesulfonate 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

(3-fluorophenyl) 2,3,4-trifluorobenzenesulfonate
CID 134017316
(3-aminophenyl) 2-fluorobenzenesulfonate
CID 139996801
(3,4-difluorophenyl) 2-bromobenzenesulfonate
CID 26943973
(3,4-difluorophenyl) 2-chlorobenzenesulfonate
CID 26943968
naphthalen-2-yl 4-ethoxybenzenesulfonate
CID 5017326
2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene
CID 91602635
(1-methylbenzimidazol-5-yl) 2-fluorobenzenesulfonate
CID 90538347
(2-methylquinolin-8-yl) 2-fluorobenzenesulfonate
CID 31391529
[4-(2-phenylpropan-2-yl)phenyl] naphthalene-1-sulfonate
CID 88693060
(4-fluorophenyl) 2-bromobenzenesulfonate
CID 71534263
(2,6-dimethylphenyl) 2-fluorobenzenesulfonate
CID 78786953
4-naphthalen-1-ylsulfonyloxybenzenesulfonic acid
CID 142649275

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2,3-difluorobenzenesulfonate?
The IUPAC name of naphthalen-2-yl 2,3-difluorobenzenesulfonate (CID 52857029) is naphthalen-2-yl 2,3-difluorobenzenesulfonate.
What is the SMILES notation for naphthalen-2-yl 2,3-difluorobenzenesulfonate?
The canonical SMILES for naphthalen-2-yl 2,3-difluorobenzenesulfonate is O=S(=O)(Oc1ccc2ccccc2c1)c1cccc(F)c1F.
What is the InChIKey of naphthalen-2-yl 2,3-difluorobenzenesulfonate?
The InChIKey is VGVCJORULKQQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O3S/c17-14-6-3-7-15(16(14)18)22(19,20)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H.
What are the key properties of naphthalen-2-yl 2,3-difluorobenzenesulfonate?
naphthalen-2-yl 2,3-difluorobenzenesulfonate has a molecular weight of 320.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2,3-difluorobenzenesulfonate is sourced from PubChem (CID 52857029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).