dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate

C16H14FNO6S — CID 17493605

IUPACdimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO6S/c1-23-15(19)10-6-7-13(16(20)24-2)14(8-10)25(21,22)18-12-5-3-4-11(17)9-12/h3-9,18H,1-2H3
InChIKeyXSVKFJMZRCJXIB-UHFFFAOYSA-N
MW367.35 g/mol
LogP2.20
Rot. Bonds5

About dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate

dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate (PubChem CID 17493605) has the molecular formula C16H14FNO6S and a molecular weight of 367.35 g/mol. Its IUPAC name is dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
PubChem CID17493605
Molecular FormulaC16H14FNO6S
Molecular Weight367.35 g/mol
Exact Mass367.05
IUPAC Namedimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO6S/c1-23-15(19)10-6-7-13(16(20)24-2)14(8-10)25(21,22)18-12-5-3-4-11(17)9-12/h3-9,18H,1-2H3
InChIKeyXSVKFJMZRCJXIB-UHFFFAOYSA-N
XLogP2.20
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate (CID 17493605) is dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The InChIKey is XSVKFJMZRCJXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO6S/c1-23-15(19)10-6-7-13(16(20)24-2)14(8-10)25(21,22)18-12-5-3-4-11(17)9-12/h3-9,18H,1-2H3.
What are the key properties of dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate has a molecular weight of 367.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 17493605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).