2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide

C23H15FN4OS — CID 55856882

IUPAC2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C23H15FN4OS/c24-19-13-17(9-10-20(19)28-12-11-26-15-28)27-23(29)18-6-2-4-8-22(18)30-21-7-3-1-5-16(21)14-25/h1-13,15H,(H,27,29)
InChIKeyNSWGCSKLJFHPFA-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.29
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide

2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide (PubChem CID 55856882) has the molecular formula C23H15FN4OS and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
PubChem CID55856882
Molecular FormulaC23H15FN4OS
Molecular Weight414.47 g/mol
Exact Mass414.10
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C23H15FN4OS/c24-19-13-17(9-10-20(19)28-12-11-26-15-28)27-23(29)18-6-2-4-8-22(18)30-21-7-3-1-5-16(21)14-25/h1-13,15H,(H,27,29)
InChIKeyNSWGCSKLJFHPFA-UHFFFAOYSA-N
XLogP5.29
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide (CID 55856882) is 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide is N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The InChIKey is NSWGCSKLJFHPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4OS/c24-19-13-17(9-10-20(19)28-12-11-26-15-28)27-23(29)18-6-2-4-8-22(18)30-21-7-3-1-5-16(21)14-25/h1-13,15H,(H,27,29).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide has a molecular weight of 414.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide is sourced from PubChem (CID 55856882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).