4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one

C18H22ClN3O5S — CID 124887641

IUPAC4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one
SMILESO=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C18H22ClN3O5S/c19-14-3-1-2-4-16(14)28(25,26)21-9-10-27-15(11-21)18(24)20-7-8-22(13-5-6-13)17(23)12-20/h1-4,13,15H,5-12H2/t15-/m1/s1
InChIKeySXIOWIGZROYGCI-OAHLLOKOSA-N
MW427.91 g/mol
LogP0.56
Rot. Bonds4

About 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one

4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one (PubChem CID 124887641) has the molecular formula C18H22ClN3O5S and a molecular weight of 427.91 g/mol. Its IUPAC name is 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one
PubChem CID124887641
Molecular FormulaC18H22ClN3O5S
Molecular Weight427.91 g/mol
Exact Mass427.10
IUPAC Name4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one
SMILESO=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C18H22ClN3O5S/c19-14-3-1-2-4-16(14)28(25,26)21-9-10-27-15(11-21)18(24)20-7-8-22(13-5-6-13)17(23)12-20/h1-4,13,15H,5-12H2/t15-/m1/s1
InChIKeySXIOWIGZROYGCI-OAHLLOKOSA-N
XLogP0.56
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 124725255
(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide
CID 124743243
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 124886281
(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide
CID 124886647
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110799419
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119686577
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 51151012
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one (CID 124887641) is 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one is O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one?
The InChIKey is SXIOWIGZROYGCI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22ClN3O5S/c19-14-3-1-2-4-16(14)28(25,26)21-9-10-27-15(11-21)18(24)20-7-8-22(13-5-6-13)17(23)12-20/h1-4,13,15H,5-12H2/t15-/m1/s1.
What are the key properties of 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one?
4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one has a molecular weight of 427.91 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 124887641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).