4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine

C18H19ClFNO3S — CID 110368984

IUPAC4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
SMILESCC1(C)COC(c2ccccc2F)CN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFNO3S/c1-18(2)12-24-17(15-8-3-4-9-16(15)20)11-21(18)25(22,23)14-7-5-6-13(19)10-14/h3-10,17H,11-12H2,1-2H3
InChIKeyBXSJWVMODZWKJH-UHFFFAOYSA-N
MW383.87 g/mol
LogP4.02
Rot. Bonds3

About 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine

4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine (PubChem CID 110368984) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
PubChem CID110368984
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
SMILESCC1(C)COC(c2ccccc2F)CN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFNO3S/c1-18(2)12-24-17(15-8-3-4-9-16(15)20)11-21(18)25(22,23)14-7-5-6-13(19)10-14/h3-10,17H,11-12H2,1-2H3
InChIKeyBXSJWVMODZWKJH-UHFFFAOYSA-N
XLogP4.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327595
1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
CID 110368988
2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110368983
4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368961
2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110368964
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
3-(2,5,5-trimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 110421938
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327570
2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
CID 110368946
N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110368936

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine (CID 110368984) is 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine is CC1(C)COC(c2ccccc2F)CN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
The InChIKey is BXSJWVMODZWKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-18(2)12-24-17(15-8-3-4-9-16(15)20)11-21(18)25(22,23)14-7-5-6-13(19)10-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine has a molecular weight of 383.87 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine is sourced from PubChem (CID 110368984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).