4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile

C15H10FNOS — CID 43225044

IUPAC4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
SMILESN#Cc1ccc(C(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C15H10FNOS/c16-13-5-7-14(8-6-13)19-10-15(18)12-3-1-11(9-17)2-4-12/h1-8H,10H2
InChIKeyWWUWQWNRUOXCEN-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.67
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile

4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile (PubChem CID 43225044) has the molecular formula C15H10FNOS and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
PubChem CID43225044
Molecular FormulaC15H10FNOS
Molecular Weight271.32 g/mol
Exact Mass271.05
IUPAC Name4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
SMILESN#Cc1ccc(C(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C15H10FNOS/c16-13-5-7-14(8-6-13)19-10-15(18)12-3-1-11(9-17)2-4-12/h1-8H,10H2
InChIKeyWWUWQWNRUOXCEN-UHFFFAOYSA-N
XLogP3.67
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromophenyl)sulfanylacetyl]benzonitrile
CID 2341546
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 116505636
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
CID 17432923
4-[2-(2-methoxyphenyl)sulfanylacetyl]benzonitrile
CID 61290551
2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 60518308
methyl 2-(4-cyanophenyl)sulfanylacetate
CID 43409182
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
1-(4-fluorophenyl)-2-hydroxysulfanylethanone
CID 142999162
(E)-4-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784725
4-[2-(1,3-thiazol-2-ylsulfanyl)acetyl]benzonitrile
CID 61218934

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile (CID 43225044) is 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile is N#Cc1ccc(C(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile?
The InChIKey is WWUWQWNRUOXCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNOS/c16-13-5-7-14(8-6-13)19-10-15(18)12-3-1-11(9-17)2-4-12/h1-8H,10H2.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile?
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile has a molecular weight of 271.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile is sourced from PubChem (CID 43225044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).