[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone

C22H24Cl2N2O4S — CID 55947377

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24Cl2N2O4S/c23-18-7-4-16(5-8-18)20-15-25(12-13-30-20)22(27)17-6-9-19(24)21(14-17)31(28,29)26-10-2-1-3-11-26/h4-9,14,20H,1-3,10-13,15H2
InChIKeyPDOMUFWZZHTLLN-UHFFFAOYSA-N
MW483.42 g/mol
LogP4.38
Rot. Bonds4

About [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone

[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 55947377) has the molecular formula C22H24Cl2N2O4S and a molecular weight of 483.42 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID55947377
Molecular FormulaC22H24Cl2N2O4S
Molecular Weight483.42 g/mol
Exact Mass482.08
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24Cl2N2O4S/c23-18-7-4-16(5-8-18)20-15-25(12-13-30-20)22(27)17-6-9-19(24)21(14-17)31(28,29)26-10-2-1-3-11-26/h4-9,14,20H,1-3,10-13,15H2
InChIKeyPDOMUFWZZHTLLN-UHFFFAOYSA-N
XLogP4.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55948021
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 55948015
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 41440360
ethyl (3S)-1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 42524067
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 78799951

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone (CID 55947377) is [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is PDOMUFWZZHTLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O4S/c23-18-7-4-16(5-8-18)20-15-25(12-13-30-20)22(27)17-6-9-19(24)21(14-17)31(28,29)26-10-2-1-3-11-26/h4-9,14,20H,1-3,10-13,15H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 483.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 55947377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).