4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

C21H18F2N2O3S — CID 155567744

IUPAC4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-18-7-5-17(6-8-18)21(26)24-13-15-1-3-16(4-2-15)14-25-29(27,28)20-11-9-19(23)10-12-20/h1-12,25H,13-14H2,(H,24,26)
InChIKeyBSHUZAOTOCYCCP-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.37
Rot. Bonds7

About 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (PubChem CID 155567744) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
PubChem CID155567744
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-18-7-5-17(6-8-18)21(26)24-13-15-1-3-16(4-2-15)14-25-29(27,28)20-11-9-19(23)10-12-20/h1-12,25H,13-14H2,(H,24,26)
InChIKeyBSHUZAOTOCYCCP-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (CID 155567744) is 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The InChIKey is BSHUZAOTOCYCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c22-18-7-5-17(6-8-18)21(26)24-13-15-1-3-16(4-2-15)14-25-29(27,28)20-11-9-19(23)10-12-20/h1-12,25H,13-14H2,(H,24,26).
What are the key properties of 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 155567744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).