2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine

C18H18ClNO5S — CID 110327031

IUPAC2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H18ClNO5S/c19-14-3-1-2-13(10-14)18-12-20(6-7-23-18)26(21,22)15-4-5-16-17(11-15)25-9-8-24-16/h1-5,10-11,18H,6-9,12H2
InChIKeyVZIXTFJOYFLAQQ-UHFFFAOYSA-N
MW395.86 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine

2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine (PubChem CID 110327031) has the molecular formula C18H18ClNO5S and a molecular weight of 395.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
PubChem CID110327031
Molecular FormulaC18H18ClNO5S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC Name2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H18ClNO5S/c19-14-3-1-2-13(10-14)18-12-20(6-7-23-18)26(21,22)15-4-5-16-17(11-15)25-9-8-24-16/h1-5,10-11,18H,6-9,12H2
InChIKeyVZIXTFJOYFLAQQ-UHFFFAOYSA-N
XLogP2.87
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364061
4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine
CID 110326793
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
CID 110609461
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575832
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
2-(3-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609463
1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 121134630

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine?
The IUPAC name of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine (CID 110327031) is 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine?
The canonical SMILES for 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine?
The InChIKey is VZIXTFJOYFLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5S/c19-14-3-1-2-13(10-14)18-12-20(6-7-23-18)26(21,22)15-4-5-16-17(11-15)25-9-8-24-16/h1-5,10-11,18H,6-9,12H2.
What are the key properties of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine?
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine has a molecular weight of 395.86 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine is sourced from PubChem (CID 110327031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).