4-butylsulfonyl-2-(2-fluorophenyl)morpholine

C14H20FNO3S — CID 110326692

IUPAC4-butylsulfonyl-2-(2-fluorophenyl)morpholine
SMILESCCCCS(=O)(=O)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-2-3-10-20(17,18)16-8-9-19-14(11-16)12-6-4-5-7-13(12)15/h4-7,14H,2-3,8-11H2,1H3
InChIKeyBMHYFTZANXZEEV-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.33
Rot. Bonds5

About 4-butylsulfonyl-2-(2-fluorophenyl)morpholine

4-butylsulfonyl-2-(2-fluorophenyl)morpholine (PubChem CID 110326692) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-butylsulfonyl-2-(2-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-butylsulfonyl-2-(2-fluorophenyl)morpholine
PubChem CID110326692
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-butylsulfonyl-2-(2-fluorophenyl)morpholine
SMILESCCCCS(=O)(=O)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-2-3-10-20(17,18)16-8-9-19-14(11-16)12-6-4-5-7-13(12)15/h4-7,14H,2-3,8-11H2,1H3
InChIKeyBMHYFTZANXZEEV-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-2-(2-fluorophenyl)morpholine?
The IUPAC name of 4-butylsulfonyl-2-(2-fluorophenyl)morpholine (CID 110326692) is 4-butylsulfonyl-2-(2-fluorophenyl)morpholine.
What is the SMILES notation for 4-butylsulfonyl-2-(2-fluorophenyl)morpholine?
The canonical SMILES for 4-butylsulfonyl-2-(2-fluorophenyl)morpholine is CCCCS(=O)(=O)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 4-butylsulfonyl-2-(2-fluorophenyl)morpholine?
The InChIKey is BMHYFTZANXZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-3-10-20(17,18)16-8-9-19-14(11-16)12-6-4-5-7-13(12)15/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of 4-butylsulfonyl-2-(2-fluorophenyl)morpholine?
4-butylsulfonyl-2-(2-fluorophenyl)morpholine has a molecular weight of 301.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-2-(2-fluorophenyl)morpholine is sourced from PubChem (CID 110326692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).