4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine

C17H16FNO5S — CID 110326793

IUPAC4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FNO5S/c18-13-3-1-12(2-4-13)17-10-19(7-8-22-17)25(20,21)14-5-6-15-16(9-14)24-11-23-15/h1-6,9,17H,7-8,10-11H2
InChIKeyGSOOGPKGZGSEJN-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.32
Rot. Bonds3

About 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine

4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine (PubChem CID 110326793) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine
PubChem CID110326793
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FNO5S/c18-13-3-1-12(2-4-13)17-10-19(7-8-22-17)25(20,21)14-5-6-15-16(9-14)24-11-23-15/h1-6,9,17H,7-8,10-11H2
InChIKeyGSOOGPKGZGSEJN-UHFFFAOYSA-N
XLogP2.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364061
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 42949946
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
CID 110327031
2-(4-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110326817
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42949954
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(3S)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidine
CID 94929661
(E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
CID 134044150
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine (CID 110326793) is 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine is O=S(=O)(c1ccc2c(c1)OCO2)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine?
The InChIKey is GSOOGPKGZGSEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c18-13-3-1-12(2-4-13)17-10-19(7-8-22-17)25(20,21)14-5-6-15-16(9-14)24-11-23-15/h1-6,9,17H,7-8,10-11H2.
What are the key properties of 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine?
4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine has a molecular weight of 365.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 110326793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).