[3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol

C14H17FNO2S+ — CID 143476580

IUPAC[3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol
SMILESCO.Cc1cc([NH3+])cc(S(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C13H12FNOS.CH4O/c1-9-6-11(15)8-13(7-9)17(16)12-4-2-10(14)3-5-12;1-2/h2-8H,15H2,1H3;2H,1H3/p+1
InChIKeyDRYWXQKSVJCLSZ-UHFFFAOYSA-O
MW282.36 g/mol
LogP1.78
Rot. Bonds2

About [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol

[3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol (PubChem CID 143476580) has the molecular formula C14H17FNO2S+ and a molecular weight of 282.36 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol
PubChem CID143476580
Molecular FormulaC14H17FNO2S+
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name[3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol
SMILESCO.Cc1cc([NH3+])cc(S(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C13H12FNOS.CH4O/c1-9-6-11(15)8-13(7-9)17(16)12-4-2-10(14)3-5-12;1-2/h2-8H,15H2,1H3;2H,1H3/p+1
InChIKeyDRYWXQKSVJCLSZ-UHFFFAOYSA-O
XLogP1.78
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol?
The IUPAC name of [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol (CID 143476580) is [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol.
What is the SMILES notation for [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol?
The canonical SMILES for [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol is CO.Cc1cc([NH3+])cc(S(=O)c2ccc(F)cc2)c1.
What is the InChIKey of [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol?
The InChIKey is DRYWXQKSVJCLSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12FNOS.CH4O/c1-9-6-11(15)8-13(7-9)17(16)12-4-2-10(14)3-5-12;1-2/h2-8H,15H2,1H3;2H,1H3/p+1.
What are the key properties of [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol?
[3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol has a molecular weight of 282.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol is sourced from PubChem (CID 143476580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).