4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine

C19H21NO5S — CID 162418217

IUPAC4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(CCc2ccc3c(c2)OCO3)cc1)N1CCOCC1
InChIInChI=1S/C19H21NO5S/c21-26(22,20-9-11-23-12-10-20)17-6-3-15(4-7-17)1-2-16-5-8-18-19(13-16)25-14-24-18/h3-8,13H,1-2,9-12,14H2
InChIKeyPSJZZAOJPVCHQN-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.22
Rot. Bonds5

About 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine

4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine (PubChem CID 162418217) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine
PubChem CID162418217
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(CCc2ccc3c(c2)OCO3)cc1)N1CCOCC1
InChIInChI=1S/C19H21NO5S/c21-26(22,20-9-11-23-12-10-20)17-6-3-15(4-7-17)1-2-16-5-8-18-19(13-16)25-14-24-18/h3-8,13H,1-2,9-12,14H2
InChIKeyPSJZZAOJPVCHQN-UHFFFAOYSA-N
XLogP2.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 39966777
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 5169577
4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
CID 30137390
4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine
CID 46086764
4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 46086767
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125752
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 4829654
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 1131734
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
CID 3447627
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26911264

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine (CID 162418217) is 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(CCc2ccc3c(c2)OCO3)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine?
The InChIKey is PSJZZAOJPVCHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c21-26(22,20-9-11-23-12-10-20)17-6-3-15(4-7-17)1-2-16-5-8-18-19(13-16)25-14-24-18/h3-8,13H,1-2,9-12,14H2.
What are the key properties of 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine?
4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine has a molecular weight of 375.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 162418217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).