(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine

C24H32N2O7S2 — CID 26833180

IUPAC(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C24H32N2O7S2/c1-17-13-25(14-18(2)31-17)34(27,28)23-9-5-21(6-10-23)33-22-7-11-24(12-8-22)35(29,30)26-15-19(3)32-20(4)16-26/h5-12,17-20H,13-16H2,1-4H3/t17-,18-,19-,20+/m1/s1
InChIKeyNEFOMNBRNQSXNT-WTGUMLROSA-N
MW524.66 g/mol
LogP3.07
Rot. Bonds6

About (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine

(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 26833180) has the molecular formula C24H32N2O7S2 and a molecular weight of 524.66 g/mol. Its IUPAC name is (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
PubChem CID26833180
Molecular FormulaC24H32N2O7S2
Molecular Weight524.66 g/mol
Exact Mass524.17
IUPAC Name(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C24H32N2O7S2/c1-17-13-25(14-18(2)31-17)34(27,28)23-9-5-21(6-10-23)33-22-7-11-24(12-8-22)35(29,30)26-15-19(3)32-20(4)16-26/h5-12,17-20H,13-16H2,1-4H3/t17-,18-,19-,20+/m1/s1
InChIKeyNEFOMNBRNQSXNT-WTGUMLROSA-N
XLogP3.07
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.66
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
(4-methylphenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764685
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
(4-chlorophenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 7900867
4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2932492
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine (CID 26833180) is (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is NEFOMNBRNQSXNT-WTGUMLROSA-N. The full InChI is InChI=1S/C24H32N2O7S2/c1-17-13-25(14-18(2)31-17)34(27,28)23-9-5-21(6-10-23)33-22-7-11-24(12-8-22)35(29,30)26-15-19(3)32-20(4)16-26/h5-12,17-20H,13-16H2,1-4H3/t17-,18-,19-,20+/m1/s1.
What are the key properties of (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine?
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 524.66 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 26833180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).