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

C23H27ClN2O5S — CID 55948015

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccc(Cl)cc4)C3)c2)CC(C)O1
InChIInChI=1S/C23H27ClN2O5S/c1-16-13-26(14-17(2)31-16)32(28,29)21-5-3-4-19(12-21)23(27)25-10-11-30-22(15-25)18-6-8-20(24)9-7-18/h3-9,12,16-17,22H,10-11,13-15H2,1-2H3
InChIKeyACVYHGKCMDZGIF-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.35
Rot. Bonds4

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

[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone (PubChem CID 55948015) has the molecular formula C23H27ClN2O5S and a molecular weight of 479.00 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
PubChem CID55948015
Molecular FormulaC23H27ClN2O5S
Molecular Weight479.00 g/mol
Exact Mass478.13
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccc(Cl)cc4)C3)c2)CC(C)O1
InChIInChI=1S/C23H27ClN2O5S/c1-16-13-26(14-17(2)31-16)32(28,29)21-5-3-4-19(12-21)23(27)25-10-11-30-22(15-25)18-6-8-20(24)9-7-18/h3-9,12,16-17,22H,10-11,13-15H2,1-2H3
InChIKeyACVYHGKCMDZGIF-UHFFFAOYSA-N
XLogP3.35
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone with MolForge

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Related Compounds

[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
CID 43057359
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
CID 119579187
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
(4-chlorophenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764523
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42949393
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 43001978
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone (CID 55948015) is [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone is CC1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccc(Cl)cc4)C3)c2)CC(C)O1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone?
The InChIKey is ACVYHGKCMDZGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5S/c1-16-13-26(14-17(2)31-16)32(28,29)21-5-3-4-19(12-21)23(27)25-10-11-30-22(15-25)18-6-8-20(24)9-7-18/h3-9,12,16-17,22H,10-11,13-15H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone has a molecular weight of 479.00 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 55948015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).