[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H19ClN2O4S — CID 69169535

IUPAC[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O4S/c16-12-3-1-2-4-14(12)23(20,21)11-9-13(17-10-11)15(19)18-5-7-22-8-6-18/h1-4,11,13,17H,5-10H2/t11-,13-/m0/s1
InChIKeyQWPJHYSDKCYJAY-AAEUAGOBSA-N
MW358.85 g/mol
LogP0.70
Rot. Bonds3

About [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 69169535) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID69169535
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O4S/c16-12-3-1-2-4-14(12)23(20,21)11-9-13(17-10-11)15(19)18-5-7-22-8-6-18/h1-4,11,13,17H,5-10H2/t11-,13-/m0/s1
InChIKeyQWPJHYSDKCYJAY-AAEUAGOBSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 77303344
benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate
CID 126574351
(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66770653
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
[2-(2-chlorophenyl)morpholin-4-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119774918
(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
CID 70194940
5-[4-(2-chlorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808945
(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(oxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 142763114
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 110348840
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 51151012
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 69169535) is [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1)N1CCOCC1.
What is the InChIKey of [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QWPJHYSDKCYJAY-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c16-12-3-1-2-4-14(12)23(20,21)11-9-13(17-10-11)15(19)18-5-7-22-8-6-18/h1-4,11,13,17H,5-10H2/t11-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 358.85 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 69169535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).