4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one

C17H17NO4S — CID 135030100

IUPAC4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H17NO4S/c1-13-7-9-15(10-8-13)23(20,21)18-11-12-22-16(17(18)19)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyQFIBPTIMMIZSGV-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.28
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one

4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one (PubChem CID 135030100) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one
PubChem CID135030100
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H17NO4S/c1-13-7-9-15(10-8-13)23(20,21)18-11-12-22-16(17(18)19)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyQFIBPTIMMIZSGV-UHFFFAOYSA-N
XLogP2.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one (CID 135030100) is 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one is Cc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one?
The InChIKey is QFIBPTIMMIZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-13-7-9-15(10-8-13)23(20,21)18-11-12-22-16(17(18)19)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one?
4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one has a molecular weight of 331.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2-phenylmorpholin-3-one is sourced from PubChem (CID 135030100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).