4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine

C21H26N2O7S2 — CID 71671443

IUPAC4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O7S2/c1-28-18-4-7-20(21(16-18)32(26,27)23-10-14-30-15-11-23)17-2-5-19(6-3-17)31(24,25)22-8-12-29-13-9-22/h2-7,16H,8-15H2,1H3
InChIKeyVKTJLQCTLWSCJD-UHFFFAOYSA-N
MW482.58 g/mol
LogP1.40
Rot. Bonds6

About 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine

4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine (PubChem CID 71671443) has the molecular formula C21H26N2O7S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
PubChem CID71671443
Molecular FormulaC21H26N2O7S2
Molecular Weight482.58 g/mol
Exact Mass482.12
IUPAC Name4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O7S2/c1-28-18-4-7-20(21(16-18)32(26,27)23-10-14-30-15-11-23)17-2-5-19(6-3-17)31(24,25)22-8-12-29-13-9-22/h2-7,16H,8-15H2,1H3
InChIKeyVKTJLQCTLWSCJD-UHFFFAOYSA-N
XLogP1.40
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
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4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
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4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
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CID 28563195
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine (CID 71671443) is 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine is COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine?
The InChIKey is VKTJLQCTLWSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S2/c1-28-18-4-7-20(21(16-18)32(26,27)23-10-14-30-15-11-23)17-2-5-19(6-3-17)31(24,25)22-8-12-29-13-9-22/h2-7,16H,8-15H2,1H3.
What are the key properties of 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine?
4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine has a molecular weight of 482.58 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 71671443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).