[3-(4-fluorophenyl)phenyl]sulfonylazanide

C12H9FNO2S- — CID 143427980

IUPAC[3-(4-fluorophenyl)phenyl]sulfonylazanide
SMILES[NH-]S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H9FNO2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h1-8H,(H-,14,15,16)/q-1
InChIKeyXBQKXQDAFXMSFD-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.23
Rot. Bonds2

About [3-(4-fluorophenyl)phenyl]sulfonylazanide

[3-(4-fluorophenyl)phenyl]sulfonylazanide (PubChem CID 143427980) has the molecular formula C12H9FNO2S- and a molecular weight of 250.27 g/mol. Its IUPAC name is [3-(4-fluorophenyl)phenyl]sulfonylazanide.

Molecular Properties

Compound Name[3-(4-fluorophenyl)phenyl]sulfonylazanide
PubChem CID143427980
Molecular FormulaC12H9FNO2S-
Molecular Weight250.27 g/mol
Exact Mass250.03
IUPAC Name[3-(4-fluorophenyl)phenyl]sulfonylazanide
SMILES[NH-]S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H9FNO2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h1-8H,(H-,14,15,16)/q-1
InChIKeyXBQKXQDAFXMSFD-UHFFFAOYSA-N
XLogP3.23
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)phenyl]sulfonylazanide?
The IUPAC name of [3-(4-fluorophenyl)phenyl]sulfonylazanide (CID 143427980) is [3-(4-fluorophenyl)phenyl]sulfonylazanide.
What is the SMILES notation for [3-(4-fluorophenyl)phenyl]sulfonylazanide?
The canonical SMILES for [3-(4-fluorophenyl)phenyl]sulfonylazanide is [NH-]S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of [3-(4-fluorophenyl)phenyl]sulfonylazanide?
The InChIKey is XBQKXQDAFXMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FNO2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h1-8H,(H-,14,15,16)/q-1.
What are the key properties of [3-(4-fluorophenyl)phenyl]sulfonylazanide?
[3-(4-fluorophenyl)phenyl]sulfonylazanide has a molecular weight of 250.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)phenyl]sulfonylazanide is sourced from PubChem (CID 143427980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).