1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone

C19H21NO5S — CID 8531809

IUPAC1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H21NO5S/c1-15(21)17-5-3-6-18(13-17)25-14-16-4-2-7-19(12-16)26(22,23)20-8-10-24-11-9-20/h2-7,12-13H,8-11,14H2,1H3
InChIKeySVVFIBYLTNRWNL-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.49
Rot. Bonds6

About 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone

1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone (PubChem CID 8531809) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
PubChem CID8531809
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H21NO5S/c1-15(21)17-5-3-6-18(13-17)25-14-16-4-2-7-19(12-16)26(22,23)20-8-10-24-11-9-20/h2-7,12-13H,8-11,14H2,1H3
InChIKeySVVFIBYLTNRWNL-UHFFFAOYSA-N
XLogP2.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
CID 7542694
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080
(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385964
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
CID 9354119
(4-acetyl-2-methoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 8868752
4-[3-[(2-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 38879019
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone (CID 8531809) is 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
The InChIKey is SVVFIBYLTNRWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-15(21)17-5-3-6-18(13-17)25-14-16-4-2-7-19(12-16)26(22,23)20-8-10-24-11-9-20/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone has a molecular weight of 375.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 8531809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).