methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate

C14H15NO5S — CID 102591550

IUPACmethyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OS(=O)(=O)N(C)C)ccc2c1
InChIInChI=1S/C14H15NO5S/c1-15(2)21(17,18)20-13-7-6-10-8-12(14(16)19-3)5-4-11(10)9-13/h4-9H,1-3H3
InChIKeyDDXLJBCLYJRZNV-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.81
Rot. Bonds4

About methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate

methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate (PubChem CID 102591550) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate
PubChem CID102591550
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Namemethyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OS(=O)(=O)N(C)C)ccc2c1
InChIInChI=1S/C14H15NO5S/c1-15(2)21(17,18)20-13-7-6-10-8-12(14(16)19-3)5-4-11(10)9-13/h4-9H,1-3H3
InChIKeyDDXLJBCLYJRZNV-UHFFFAOYSA-N
XLogP1.81
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-methylsulfonyloxynaphthalene-2-carboxylate
CID 59983219
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl isoquinoline-6-carboxylate;sulfuric acid
CID 75485670
methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
CID 178089831
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate
CID 67087010
methanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 174921301
methyl 3-chloro-4-(dimethylsulfamoyl)benzoate
CID 52857534

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate?
The IUPAC name of methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate (CID 102591550) is methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate is COC(=O)c1ccc2cc(OS(=O)(=O)N(C)C)ccc2c1.
What is the InChIKey of methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate?
The InChIKey is DDXLJBCLYJRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-15(2)21(17,18)20-13-7-6-10-8-12(14(16)19-3)5-4-11(10)9-13/h4-9H,1-3H3.
What are the key properties of methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate?
methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate is sourced from PubChem (CID 102591550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).