4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine

C20H22N4O4S — CID 56539542

IUPAC4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCn2nccc2-c2ccncc2)cc1)N1CCOCC1
InChIInChI=1S/C20H22N4O4S/c25-29(26,23-11-14-27-15-12-23)19-3-1-18(2-4-19)28-16-13-24-20(7-10-22-24)17-5-8-21-9-6-17/h1-10H,11-16H2
InChIKeyMRDPAHJTGNDHAF-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.05
Rot. Bonds7

About 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine

4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine (PubChem CID 56539542) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine
PubChem CID56539542
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCn2nccc2-c2ccncc2)cc1)N1CCOCC1
InChIInChI=1S/C20H22N4O4S/c25-29(26,23-11-14-27-15-12-23)19-3-1-18(2-4-19)28-16-13-24-20(7-10-22-24)17-5-8-21-9-6-17/h1-10H,11-16H2
InChIKeyMRDPAHJTGNDHAF-UHFFFAOYSA-N
XLogP2.05
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)acetamide
CID 56539574
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CID 34198649
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
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N-(4-ethoxyphenyl)-3-(2-methoxyethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813008
1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908675
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 1300600
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine
CID 167474114

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine (CID 56539542) is 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(OCCn2nccc2-c2ccncc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine?
The InChIKey is MRDPAHJTGNDHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c25-29(26,23-11-14-27-15-12-23)19-3-1-18(2-4-19)28-16-13-24-20(7-10-22-24)17-5-8-21-9-6-17/h1-10H,11-16H2.
What are the key properties of 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine?
4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine has a molecular weight of 414.49 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 56539542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).