[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H18Cl2N2O4S — CID 1263870

IUPAC[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H18Cl2N2O4S/c16-12-4-3-11(10-13(12)17)24(21,22)19-5-1-2-14(19)15(20)18-6-8-23-9-7-18/h3-4,10,14H,1-2,5-9H2/t14-/m0/s1
InChIKeyAJSRWXAPFNTRMA-AWEZNQCLSA-N
MW393.29 g/mol
LogP2.01
Rot. Bonds3

About [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 1263870) has the molecular formula C15H18Cl2N2O4S and a molecular weight of 393.29 g/mol. Its IUPAC name is [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID1263870
Molecular FormulaC15H18Cl2N2O4S
Molecular Weight393.29 g/mol
Exact Mass392.04
IUPAC Name[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H18Cl2N2O4S/c16-12-4-3-11(10-13(12)17)24(21,22)19-5-1-2-14(19)15(20)18-6-8-23-9-7-18/h3-4,10,14H,1-2,5-9H2/t14-/m0/s1
InChIKeyAJSRWXAPFNTRMA-AWEZNQCLSA-N
XLogP2.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 1263870) is [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AJSRWXAPFNTRMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4S/c16-12-4-3-11(10-13(12)17)24(21,22)19-5-1-2-14(19)15(20)18-6-8-23-9-7-18/h3-4,10,14H,1-2,5-9H2/t14-/m0/s1.
What are the key properties of [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 393.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1263870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).