(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine

C17H19NO3S — CID 102484859

IUPAC(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-13-17(18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3/t17-/m0/s1
InChIKeyQNXPBFCGKIIGAL-KRWDZBQOSA-N
MW317.41 g/mol
LogP2.76
Rot. Bonds3

About (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine

(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine (PubChem CID 102484859) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine.

Molecular Properties

Compound Name(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
PubChem CID102484859
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-13-17(18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3/t17-/m0/s1
InChIKeyQNXPBFCGKIIGAL-KRWDZBQOSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine
CID 162411653
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
CID 134953438
4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine
CID 110871749
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
1-[4-[3-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 110663917
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine?
The IUPAC name of (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine (CID 102484859) is (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine.
What is the SMILES notation for (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine?
The canonical SMILES for (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine is Cc1ccc(S(=O)(=O)N2CCOC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine?
The InChIKey is QNXPBFCGKIIGAL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-13-17(18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine?
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine has a molecular weight of 317.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine is sourced from PubChem (CID 102484859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).