4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide

C15H15FN2O4S — CID 110758104

IUPAC4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-2-22-14-8-7-12(9-13(14)16)23(20,21)18-11-5-3-10(4-6-11)15(17)19/h3-9,18H,2H2,1H3,(H2,17,19)
InChIKeyFCESSJSRGBWXAZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.12
Rot. Bonds6

About 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide

4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide (PubChem CID 110758104) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
PubChem CID110758104
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-2-22-14-8-7-12(9-13(14)16)23(20,21)18-11-5-3-10(4-6-11)15(17)19/h3-9,18H,2H2,1H3,(H2,17,19)
InChIKeyFCESSJSRGBWXAZ-UHFFFAOYSA-N
XLogP2.12
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide (CID 110758104) is 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1F.
What is the InChIKey of 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is FCESSJSRGBWXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-2-22-14-8-7-12(9-13(14)16)23(20,21)18-11-5-3-10(4-6-11)15(17)19/h3-9,18H,2H2,1H3,(H2,17,19).
What are the key properties of 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide?
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 338.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 110758104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).