4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide

C19H13F2NOS — CID 1486274

IUPAC4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(Sc2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13F2NOS/c20-14-3-1-13(2-4-14)19(23)22-16-7-11-18(12-8-16)24-17-9-5-15(21)6-10-17/h1-12H,(H,22,23)
InChIKeyTUCLJLLKQCSXBM-UHFFFAOYSA-N
MW341.38 g/mol
LogP5.37
Rot. Bonds4

About 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide

4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide (PubChem CID 1486274) has the molecular formula C19H13F2NOS and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide
PubChem CID1486274
Molecular FormulaC19H13F2NOS
Molecular Weight341.38 g/mol
Exact Mass341.07
IUPAC Name4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(Sc2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13F2NOS/c20-14-3-1-13(2-4-14)19(23)22-16-7-11-18(12-8-16)24-17-9-5-15(21)6-10-17/h1-12H,(H,22,23)
InChIKeyTUCLJLLKQCSXBM-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide (CID 1486274) is 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide is O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide?
The InChIKey is TUCLJLLKQCSXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NOS/c20-14-3-1-13(2-4-14)19(23)22-16-7-11-18(12-8-16)24-17-9-5-15(21)6-10-17/h1-12H,(H,22,23).
What are the key properties of 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide?
4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide has a molecular weight of 341.38 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-fluorophenyl)sulfanylphenyl]benzamide is sourced from PubChem (CID 1486274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).