N-(4-cyano-2-fluorophenyl)methanesulfinamide

C8H7FN2OS — CID 130948795

IUPACN-(4-cyano-2-fluorophenyl)methanesulfinamide
SMILESCS(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C8H7FN2OS/c1-13(12)11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3
InChIKeyRZABGHFPSJFCAU-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.40
Rot. Bonds2

About N-(4-cyano-2-fluorophenyl)methanesulfinamide

N-(4-cyano-2-fluorophenyl)methanesulfinamide (PubChem CID 130948795) has the molecular formula C8H7FN2OS and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)methanesulfinamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)methanesulfinamide
PubChem CID130948795
Molecular FormulaC8H7FN2OS
Molecular Weight198.22 g/mol
Exact Mass198.03
IUPAC NameN-(4-cyano-2-fluorophenyl)methanesulfinamide
SMILESCS(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C8H7FN2OS/c1-13(12)11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3
InChIKeyRZABGHFPSJFCAU-UHFFFAOYSA-N
XLogP1.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)methanesulfinamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)methanesulfinamide (CID 130948795) is N-(4-cyano-2-fluorophenyl)methanesulfinamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)methanesulfinamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)methanesulfinamide is CS(=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)methanesulfinamide?
The InChIKey is RZABGHFPSJFCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2OS/c1-13(12)11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3.
What are the key properties of N-(4-cyano-2-fluorophenyl)methanesulfinamide?
N-(4-cyano-2-fluorophenyl)methanesulfinamide has a molecular weight of 198.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)methanesulfinamide is sourced from PubChem (CID 130948795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).