4-(4-fluorophenyl)sulfinylbenzonitrile

C13H8FNOS — CID 21200811

IUPAC4-(4-fluorophenyl)sulfinylbenzonitrile
SMILESN#Cc1ccc(S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H8FNOS/c14-11-3-7-13(8-4-11)17(16)12-5-1-10(9-15)2-6-12/h1-8H
InChIKeyHGJMCYVXXHFGDK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.86
Rot. Bonds2

About 4-(4-fluorophenyl)sulfinylbenzonitrile

4-(4-fluorophenyl)sulfinylbenzonitrile (PubChem CID 21200811) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfinylbenzonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfinylbenzonitrile
PubChem CID21200811
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name4-(4-fluorophenyl)sulfinylbenzonitrile
SMILESN#Cc1ccc(S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H8FNOS/c14-11-3-7-13(8-4-11)17(16)12-5-1-10(9-15)2-6-12/h1-8H
InChIKeyHGJMCYVXXHFGDK-UHFFFAOYSA-N
XLogP2.86
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfinylbenzonitrile?
The IUPAC name of 4-(4-fluorophenyl)sulfinylbenzonitrile (CID 21200811) is 4-(4-fluorophenyl)sulfinylbenzonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)sulfinylbenzonitrile?
The canonical SMILES for 4-(4-fluorophenyl)sulfinylbenzonitrile is N#Cc1ccc(S(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfinylbenzonitrile?
The InChIKey is HGJMCYVXXHFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-11-3-7-13(8-4-11)17(16)12-5-1-10(9-15)2-6-12/h1-8H.
What are the key properties of 4-(4-fluorophenyl)sulfinylbenzonitrile?
4-(4-fluorophenyl)sulfinylbenzonitrile has a molecular weight of 245.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfinylbenzonitrile is sourced from PubChem (CID 21200811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).