4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine

C12H16FNO3S — CID 47171417

IUPAC4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C12H16FNO3S/c1-9-7-11(13)3-4-12(9)18(15,16)14-5-6-17-8-10(14)2/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyCHYMQHJEVIIOFA-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.54
Rot. Bonds2

About 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine

4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine (PubChem CID 47171417) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine
PubChem CID47171417
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C12H16FNO3S/c1-9-7-11(13)3-4-12(9)18(15,16)14-5-6-17-8-10(14)2/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyCHYMQHJEVIIOFA-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine (CID 47171417) is 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine is Cc1cc(F)ccc1S(=O)(=O)N1CCOCC1C.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine?
The InChIKey is CHYMQHJEVIIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-7-11(13)3-4-12(9)18(15,16)14-5-6-17-8-10(14)2/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine?
4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine has a molecular weight of 273.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)sulfonyl-3-methylmorpholine is sourced from PubChem (CID 47171417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).