4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine

C21H26N2O8S2 — CID 2174083

IUPAC4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O8S2/c1-28-18-4-2-3-5-19(18)31-20-7-6-17(32(24,25)22-8-12-29-13-9-22)16-21(20)33(26,27)23-10-14-30-15-11-23/h2-7,16H,8-15H2,1H3
InChIKeyYLSSZLOIDGJULL-UHFFFAOYSA-N
MW498.58 g/mol
LogP1.53
Rot. Bonds7

About 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine

4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine (PubChem CID 2174083) has the molecular formula C21H26N2O8S2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine
PubChem CID2174083
Molecular FormulaC21H26N2O8S2
Molecular Weight498.58 g/mol
Exact Mass498.11
IUPAC Name4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O8S2/c1-28-18-4-2-3-5-19(18)31-20-7-6-17(32(24,25)22-8-12-29-13-9-22)16-21(20)33(26,27)23-10-14-30-15-11-23/h2-7,16H,8-15H2,1H3
InChIKeyYLSSZLOIDGJULL-UHFFFAOYSA-N
XLogP1.53
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine (CID 2174083) is 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine is COc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine?
The InChIKey is YLSSZLOIDGJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O8S2/c1-28-18-4-2-3-5-19(18)31-20-7-6-17(32(24,25)22-8-12-29-13-9-22)16-21(20)33(26,27)23-10-14-30-15-11-23/h2-7,16H,8-15H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine?
4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine has a molecular weight of 498.58 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenoxy)-3-morpholin-4-ylsulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 2174083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).