4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

C18H20ClNO3S — CID 110369122

IUPAC4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CC(C)O2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-13-3-5-15(6-4-13)18-12-20(11-14(2)23-18)24(21,22)17-9-7-16(19)8-10-17/h3-10,14,18H,11-12H2,1-2H3
InChIKeyGBFFEDTUOGGHAG-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.80
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (PubChem CID 110369122) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
PubChem CID110369122
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CC(C)O2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-13-3-5-15(6-4-13)18-12-20(11-14(2)23-18)24(21,22)17-9-7-16(19)8-10-17/h3-10,14,18H,11-12H2,1-2H3
InChIKeyGBFFEDTUOGGHAG-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
(2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine
CID 132961757
2-(4-chlorophenyl)-7-methyl-4-(4-methylphenyl)sulfonyl-3,7-dihydro-2H-1,4-oxazepine
CID 44550414
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369136
(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
CID 95220723
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369118
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
CID 110826197
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (CID 110369122) is 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is Cc1ccc(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CC(C)O2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The InChIKey is GBFFEDTUOGGHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13-3-5-15(6-4-13)18-12-20(11-14(2)23-18)24(21,22)17-9-7-16(19)8-10-17/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine has a molecular weight of 365.88 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).