1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone

C19H20ClNO5S — CID 8522549

IUPAC1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20ClNO5S/c1-14(22)18-12-16(20)5-6-19(18)26-13-15-3-2-4-17(11-15)27(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFGOJDWYFDVPHCF-UHFFFAOYSA-N
MW409.89 g/mol
LogP3.14
Rot. Bonds6

About 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone

1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone (PubChem CID 8522549) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
PubChem CID8522549
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Name1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20ClNO5S/c1-14(22)18-12-16(20)5-6-19(18)26-13-15-3-2-4-17(11-15)27(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFGOJDWYFDVPHCF-UHFFFAOYSA-N
XLogP3.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone (CID 8522549) is 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone is CC(=O)c1cc(Cl)ccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
The InChIKey is FGOJDWYFDVPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/c1-14(22)18-12-16(20)5-6-19(18)26-13-15-3-2-4-17(11-15)27(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone?
1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone has a molecular weight of 409.89 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 8522549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).