2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine

C20H22FNO3S — CID 42949951

IUPAC2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO3S/c21-18-8-5-16(6-9-18)20-14-22(11-12-25-20)26(23,24)19-10-7-15-3-1-2-4-17(15)13-19/h5-10,13,20H,1-4,11-12,14H2
InChIKeyPLGMQNBFUDKZSD-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.47
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine

2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine (PubChem CID 42949951) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine
PubChem CID42949951
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO3S/c21-18-8-5-16(6-9-18)20-14-22(11-12-25-20)26(23,24)19-10-7-15-3-1-2-4-17(15)13-19/h5-10,13,20H,1-4,11-12,14H2
InChIKeyPLGMQNBFUDKZSD-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16892685
2,4-difluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892888
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
4-((3,5-Difluorobenzyl)sulfonyl)-2-phenylmorpholine
CID 71796507
(R)-4-(p-ethylphenylsulfonyl)-2-(p-fluorophenyl)morpholine
CID 93690492
(5,6,7,8-tetrahydro-2-naphthylsulfonyl)[(R)-2-(o-fluorophenyl)-2-methoxypropyl]amine
CID 97428462
2-Phenyl-4-tosylmorpholine
CID 16895247
US20250115569, Example 29
CID 168898398
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939
(2R,3S)-2-(4-fluorophenyl)-6-methyl-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazine
CID 60154252
(2R,3S)-2-(4-fluorophenyl)-3,6-dimethyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 60154323

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine (CID 42949951) is 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
The InChIKey is PLGMQNBFUDKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c21-18-8-5-16(6-9-18)20-14-22(11-12-25-20)26(23,24)19-10-7-15-3-1-2-4-17(15)13-19/h5-10,13,20H,1-4,11-12,14H2.
What are the key properties of 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine has a molecular weight of 375.47 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine is sourced from PubChem (CID 42949951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).