4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

C19H23NO3S — CID 110369387

IUPAC4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(c3ccccc3)OCC2C)c1
InChIInChI=1S/C19H23NO3S/c1-14-9-10-15(2)19(11-14)24(21,22)20-12-18(23-13-16(20)3)17-7-5-4-6-8-17/h4-11,16,18H,12-13H2,1-3H3
InChIKeyLTRADVXLJSSRLV-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.45
Rot. Bonds3

About 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (PubChem CID 110369387) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
PubChem CID110369387
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(c3ccccc3)OCC2C)c1
InChIInChI=1S/C19H23NO3S/c1-14-9-10-15(2)19(11-14)24(21,22)20-12-18(23-13-16(20)3)17-7-5-4-6-8-17/h4-11,16,18H,12-13H2,1-3H3
InChIKeyLTRADVXLJSSRLV-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369422
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (CID 110369387) is 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is Cc1ccc(C)c(S(=O)(=O)N2CC(c3ccccc3)OCC2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The InChIKey is LTRADVXLJSSRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-9-10-15(2)19(11-14)24(21,22)20-12-18(23-13-16(20)3)17-7-5-4-6-8-17/h4-11,16,18H,12-13H2,1-3H3.
What are the key properties of 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine has a molecular weight of 345.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 110369387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).