4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine

C17H19NO3S — CID 110369381

IUPAC4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
SMILESCC1COC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14-13-21-17(15-8-4-2-5-9-15)12-18(14)22(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyIKQTWLRLMIZXBU-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.84
Rot. Bonds3

About 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine

4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine (PubChem CID 110369381) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
PubChem CID110369381
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
SMILESCC1COC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14-13-21-17(15-8-4-2-5-9-15)12-18(14)22(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyIKQTWLRLMIZXBU-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369422
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine?
The IUPAC name of 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine (CID 110369381) is 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine is CC1COC(c2ccccc2)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine?
The InChIKey is IKQTWLRLMIZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14-13-21-17(15-8-4-2-5-9-15)12-18(14)22(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine?
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine has a molecular weight of 317.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 110369381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).