(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate

C15H19ClN2O6S — CID 7869973

IUPAC(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19ClN2O6S/c1-11(17-25(21,22)13-4-2-12(16)3-5-13)15(20)24-10-14(19)18-6-8-23-9-7-18/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1
InChIKeyOIRWYQZBUYQXFO-NSHDSACASA-N
MW390.85 g/mol
LogP0.41
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate

(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 7869973) has the molecular formula C15H19ClN2O6S and a molecular weight of 390.85 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID7869973
Molecular FormulaC15H19ClN2O6S
Molecular Weight390.85 g/mol
Exact Mass390.07
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19ClN2O6S/c1-11(17-25(21,22)13-4-2-12(16)3-5-13)15(20)24-10-14(19)18-6-8-23-9-7-18/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1
InChIKeyOIRWYQZBUYQXFO-NSHDSACASA-N
XLogP0.41
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate (CID 7869973) is (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is OIRWYQZBUYQXFO-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN2O6S/c1-11(17-25(21,22)13-4-2-12(16)3-5-13)15(20)24-10-14(19)18-6-8-23-9-7-18/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 390.85 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7869973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).