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3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide

C16H15F3N2O4S — CID 9474698

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O4S/c1-25-13-4-2-3-11(9-13)15(22)21-12-5-7-14(8-6-12)26(23,24)20-10-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyLCKKHOIZZPDNPS-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.79
Rot. Bonds6

About 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide

3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide (PubChem CID 9474698) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
PubChem CID9474698
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O4S/c1-25-13-4-2-3-11(9-13)15(22)21-12-5-7-14(8-6-12)26(23,24)20-10-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyLCKKHOIZZPDNPS-UHFFFAOYSA-N
XLogP2.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide (CID 9474698) is 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The InChIKey is LCKKHOIZZPDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-25-13-4-2-3-11(9-13)15(22)21-12-5-7-14(8-6-12)26(23,24)20-10-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22).
What are the key properties of 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9474698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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