3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide

C20H13F5N2O4S — CID 155817614

IUPAC3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyVSBQYLPAMTYZNU-UHFFFAOYSA-N
MW472.39 g/mol
LogP4.92
Rot. Bonds6

About 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide

3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 155817614) has the molecular formula C20H13F5N2O4S and a molecular weight of 472.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID155817614
Molecular FormulaC20H13F5N2O4S
Molecular Weight472.39 g/mol
Exact Mass472.05
IUPAC Name3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyVSBQYLPAMTYZNU-UHFFFAOYSA-N
XLogP4.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide (CID 155817614) is 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is VSBQYLPAMTYZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28).
What are the key properties of 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide?
3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 472.39 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 155817614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).