(2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine

C23H23NO3S — CID 92952205

IUPAC(2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)O[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H23NO3S/c1-18-12-14-21(15-13-18)28(25,26)24-16-22(19-8-4-2-5-9-19)27-23(17-24)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3/t22-,23-/m1/s1
InChIKeyCBVBEOQFUIWJPN-DHIUTWEWSA-N
MW393.51 g/mol
LogP4.50
Rot. Bonds4

About (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine

(2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine (PubChem CID 92952205) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine
PubChem CID92952205
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name(2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)O[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H23NO3S/c1-18-12-14-21(15-13-18)28(25,26)24-16-22(19-8-4-2-5-9-19)27-23(17-24)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3/t22-,23-/m1/s1
InChIKeyCBVBEOQFUIWJPN-DHIUTWEWSA-N
XLogP4.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine?
The IUPAC name of (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine (CID 92952205) is (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine.
What is the SMILES notation for (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine?
The canonical SMILES for (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine is Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)O[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine?
The InChIKey is CBVBEOQFUIWJPN-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-18-12-14-21(15-13-18)28(25,26)24-16-22(19-8-4-2-5-9-19)27-23(17-24)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3/t22-,23-/m1/s1.
What are the key properties of (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine?
(2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine has a molecular weight of 393.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(4-methylphenyl)sulfonyl-2,6-diphenylmorpholine is sourced from PubChem (CID 92952205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).