4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine

C20H24N2O7S2 — CID 1077177

IUPAC4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C20H24N2O7S2/c23-30(24,21-9-13-27-14-10-21)19-5-1-17(2-6-19)29-18-3-7-20(8-4-18)31(25,26)22-11-15-28-16-12-22/h1-8H,9-16H2
InChIKeyRCVCXRNSPZXFGQ-UHFFFAOYSA-N
MW468.55 g/mol
LogP1.52
Rot. Bonds6

About 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine

4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine (PubChem CID 1077177) has the molecular formula C20H24N2O7S2 and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine
PubChem CID1077177
Molecular FormulaC20H24N2O7S2
Molecular Weight468.55 g/mol
Exact Mass468.10
IUPAC Name4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C20H24N2O7S2/c23-30(24,21-9-13-27-14-10-21)19-5-1-17(2-6-19)29-18-3-7-20(8-4-18)31(25,26)22-11-15-28-16-12-22/h1-8H,9-16H2
InChIKeyRCVCXRNSPZXFGQ-UHFFFAOYSA-N
XLogP1.52
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperazine
CID 650361
1-((2,6-Difluorophenyl)sulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25210493
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
Dasa-23
CID 25243725
N,N-diethyl-4-phenoxybenzenesulfonamide
CID 802736
4-(3-Piperidin-1-ylpropoxy)benzenesulfonamide
CID 70685675
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
1-(Benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 23607722
1-Ethyl-4-((4-(2-methoxyphenoxy)phenyl)sulfonyl)piperazine
CID 1190535
N,N-diethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919367
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide
CID 1099239

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine (CID 1077177) is 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine?
The InChIKey is RCVCXRNSPZXFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S2/c23-30(24,21-9-13-27-14-10-21)19-5-1-17(2-6-19)29-18-3-7-20(8-4-18)31(25,26)22-11-15-28-16-12-22/h1-8H,9-16H2.
What are the key properties of 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine?
4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine has a molecular weight of 468.55 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-morpholin-4-ylsulfonylphenoxy)phenyl]sulfonylmorpholine is sourced from PubChem (CID 1077177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).