[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone

C19H27ClN2O5S — CID 55983927

IUPAC[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)N3CCOCC3(C)C)ccc2Cl)CC(C)O1
InChIInChI=1S/C19H27ClN2O5S/c1-13-10-21(11-14(2)27-13)28(24,25)17-9-15(5-6-16(17)20)18(23)22-7-8-26-12-19(22,3)4/h5-6,9,13-14H,7-8,10-12H2,1-4H3
InChIKeyZYIXUODIXXFNHV-UHFFFAOYSA-N
MW430.95 g/mol
LogP2.39
Rot. Bonds3

About [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone

[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 55983927) has the molecular formula C19H27ClN2O5S and a molecular weight of 430.95 g/mol. Its IUPAC name is [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID55983927
Molecular FormulaC19H27ClN2O5S
Molecular Weight430.95 g/mol
Exact Mass430.13
IUPAC Name[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)N3CCOCC3(C)C)ccc2Cl)CC(C)O1
InChIInChI=1S/C19H27ClN2O5S/c1-13-10-21(11-14(2)27-13)28(24,25)17-9-15(5-6-16(17)20)18(23)22-7-8-26-12-19(22,3)4/h5-6,9,13-14H,7-8,10-12H2,1-4H3
InChIKeyZYIXUODIXXFNHV-UHFFFAOYSA-N
XLogP2.39
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41319699
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-chloro-N-cyclohexyl-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55587399
(3,5-dimethylphenyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16552941
4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 2664064
(3-chloro-4-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 82781748
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 55983927) is [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone is CC1CN(S(=O)(=O)c2cc(C(=O)N3CCOCC3(C)C)ccc2Cl)CC(C)O1.
What is the InChIKey of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZYIXUODIXXFNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O5S/c1-13-10-21(11-14(2)27-13)28(24,25)17-9-15(5-6-16(17)20)18(23)22-7-8-26-12-19(22,3)4/h5-6,9,13-14H,7-8,10-12H2,1-4H3.
What are the key properties of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone?
[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 430.95 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 55983927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).