2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine

C18H21NO3S — CID 110326567

IUPAC2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-3-7-16(8-4-14)18-13-19(11-12-22-18)23(20,21)17-9-5-15(2)6-10-17/h3-10,18H,11-13H2,1-2H3
InChIKeyLMHTUXDPSNDHRS-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine

2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 110326567) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID110326567
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-3-7-16(8-4-14)18-13-19(11-12-22-18)23(20,21)17-9-5-15(2)6-10-17/h3-10,18H,11-13H2,1-2H3
InChIKeyLMHTUXDPSNDHRS-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
(2R)-2-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 124999153
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 44576423
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 125009252
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 42949946
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 124974810
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine (CID 110326567) is 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine is Cc1ccc(C2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is LMHTUXDPSNDHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-3-7-16(8-4-14)18-13-19(11-12-22-18)23(20,21)17-9-5-15(2)6-10-17/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine?
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 331.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 110326567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).