(4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one

C21H20Cl2N2O5S — CID 27160950

IUPAC(4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one
SMILESO=C(c1cc(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O5S/c22-17-12-18(23)19(11-16(17)21(27)24-6-8-30-9-7-24)31(28,29)25-13-15(10-20(25)26)14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2/t15-/m1/s1
InChIKeyNFOSUHOHTMVDDZ-OAHLLOKOSA-N
MW483.37 g/mol
LogP3.17
Rot. Bonds4

About (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one

(4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one (PubChem CID 27160950) has the molecular formula C21H20Cl2N2O5S and a molecular weight of 483.37 g/mol. Its IUPAC name is (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one
PubChem CID27160950
Molecular FormulaC21H20Cl2N2O5S
Molecular Weight483.37 g/mol
Exact Mass482.05
IUPAC Name(4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one
SMILESO=C(c1cc(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O5S/c22-17-12-18(23)19(11-16(17)21(27)24-6-8-30-9-7-24)31(28,29)25-13-15(10-20(25)26)14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2/t15-/m1/s1
InChIKeyNFOSUHOHTMVDDZ-OAHLLOKOSA-N
XLogP3.17
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one (CID 27160950) is (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one is O=C(c1cc(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one?
The InChIKey is NFOSUHOHTMVDDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20Cl2N2O5S/c22-17-12-18(23)19(11-16(17)21(27)24-6-8-30-9-7-24)31(28,29)25-13-15(10-20(25)26)14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2/t15-/m1/s1.
What are the key properties of (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one?
(4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one has a molecular weight of 483.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 27160950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).