4-fluoro-N-(2-phenylsulfanylphenyl)benzamide

C19H14FNOS — CID 847806

IUPAC4-fluoro-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNOS/c20-15-12-10-14(11-13-15)19(22)21-17-8-4-5-9-18(17)23-16-6-2-1-3-7-16/h1-13H,(H,21,22)
InChIKeyCWSTUGPLCMLZBC-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.23
Rot. Bonds4

About 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide

4-fluoro-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 847806) has the molecular formula C19H14FNOS and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID847806
Molecular FormulaC19H14FNOS
Molecular Weight323.39 g/mol
Exact Mass323.08
IUPAC Name4-fluoro-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNOS/c20-15-12-10-14(11-13-15)19(22)21-17-8-4-5-9-18(17)23-16-6-2-1-3-7-16/h1-13H,(H,21,22)
InChIKeyCWSTUGPLCMLZBC-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide (CID 847806) is 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide is O=C(Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is CWSTUGPLCMLZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNOS/c20-15-12-10-14(11-13-15)19(22)21-17-8-4-5-9-18(17)23-16-6-2-1-3-7-16/h1-13H,(H,21,22).
What are the key properties of 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide?
4-fluoro-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 323.39 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 847806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).