3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide

C19H14F2N2O3S — CID 91642236

IUPAC3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14F2N2O3S/c20-14-6-4-12(5-7-14)17-11-15(21)8-9-18(17)23-27(25,26)16-3-1-2-13(10-16)19(22)24/h1-11,23H,(H2,22,24)
InChIKeyJXCHULNQESXDBC-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.53
Rot. Bonds5

About 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide

3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide (PubChem CID 91642236) has the molecular formula C19H14F2N2O3S and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide
PubChem CID91642236
Molecular FormulaC19H14F2N2O3S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14F2N2O3S/c20-14-6-4-12(5-7-14)17-11-15(21)8-9-18(17)23-27(25,26)16-3-1-2-13(10-16)19(22)24/h1-11,23H,(H2,22,24)
InChIKeyJXCHULNQESXDBC-UHFFFAOYSA-N
XLogP3.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide (CID 91642236) is 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide is NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide?
The InChIKey is JXCHULNQESXDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3S/c20-14-6-4-12(5-7-14)17-11-15(21)8-9-18(17)23-27(25,26)16-3-1-2-13(10-16)19(22)24/h1-11,23H,(H2,22,24).
What are the key properties of 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide?
3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide has a molecular weight of 388.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 91642236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).