2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

C19H24ClF2N3O5S — CID 58677347

IUPAC2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(F)(F)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H24ClF2N3O5S/c1-13(17(26)24-8-10-30-11-9-24)25-7-6-16(18(25)27)23-31(28,29)12-19(21,22)14-2-4-15(20)5-3-14/h2-5,13,16,23H,6-12H2,1H3/t13-,16-/m0/s1
InChIKeyUTUBGBYXPKHTRJ-BBRMVZONSA-N
MW479.93 g/mol
LogP1.20
Rot. Bonds7

About 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (PubChem CID 58677347) has the molecular formula C19H24ClF2N3O5S and a molecular weight of 479.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
PubChem CID58677347
Molecular FormulaC19H24ClF2N3O5S
Molecular Weight479.93 g/mol
Exact Mass479.11
IUPAC Name2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(F)(F)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H24ClF2N3O5S/c1-13(17(26)24-8-10-30-11-9-24)25-7-6-16(18(25)27)23-31(28,29)12-19(21,22)14-2-4-15(20)5-3-14/h2-5,13,16,23H,6-12H2,1H3/t13-,16-/m0/s1
InChIKeyUTUBGBYXPKHTRJ-BBRMVZONSA-N
XLogP1.20
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677334
(Z)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]prop-1-ene-1-sulfonamide
CID 69152516
2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 90765528
2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
CID 69153135
2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
CID 58677244
5-chloro-N-[(3S)-1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 138692922
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69056359
2-(5-chlorothiophen-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 90933936
5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 91037788
(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one
CID 167012021
6-chloro-N-[1-[(2S)-1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91087221
6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329929

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (CID 58677347) is 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(F)(F)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is UTUBGBYXPKHTRJ-BBRMVZONSA-N. The full InChI is InChI=1S/C19H24ClF2N3O5S/c1-13(17(26)24-8-10-30-11-9-24)25-7-6-16(18(25)27)23-31(28,29)12-19(21,22)14-2-4-15(20)5-3-14/h2-5,13,16,23H,6-12H2,1H3/t13-,16-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 479.93 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 58677347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).