4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine

C21H26N2O6S2 — CID 1076691

IUPAC4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C21H26N2O6S2/c24-30(25,22-9-13-28-14-10-22)20-5-1-18(2-6-20)17-19-3-7-21(8-4-19)31(26,27)23-11-15-29-16-12-23/h1-8H,9-17H2
InChIKeyCTUZATXJJWAYEJ-UHFFFAOYSA-N
MW466.58 g/mol
LogP1.32
Rot. Bonds6

About 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine

4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine (PubChem CID 1076691) has the molecular formula C21H26N2O6S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine
PubChem CID1076691
Molecular FormulaC21H26N2O6S2
Molecular Weight466.58 g/mol
Exact Mass466.12
IUPAC Name4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C21H26N2O6S2/c24-30(25,22-9-13-28-14-10-22)20-5-1-18(2-6-20)17-19-3-7-21(8-4-19)31(26,27)23-11-15-29-16-12-23/h1-8H,9-17H2
InChIKeyCTUZATXJJWAYEJ-UHFFFAOYSA-N
XLogP1.32
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine (CID 1076691) is 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is CTUZATXJJWAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S2/c24-30(25,22-9-13-28-14-10-22)20-5-1-18(2-6-20)17-19-3-7-21(8-4-19)31(26,27)23-11-15-29-16-12-23/h1-8H,9-17H2.
What are the key properties of 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine?
4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 466.58 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 1076691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).