(Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide

C19H23ClFN3O5S — CID 10434369

IUPAC(Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C(\F)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H23ClFN3O5S/c1-13(18(25)23-8-10-29-11-9-23)24-7-6-17(19(24)26)22-30(27,28)12-16(21)14-2-4-15(20)5-3-14/h2-5,12-13,17,22H,6-11H2,1H3/b16-12-/t13-,17-/m0/s1
InChIKeyXIEVPXWCNCIZPT-DXNRTTSUSA-N
MW459.93 g/mol
LogP1.38
Rot. Bonds6

About (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide

(Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide (PubChem CID 10434369) has the molecular formula C19H23ClFN3O5S and a molecular weight of 459.93 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
PubChem CID10434369
Molecular FormulaC19H23ClFN3O5S
Molecular Weight459.93 g/mol
Exact Mass459.10
IUPAC Name(Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C(\F)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H23ClFN3O5S/c1-13(18(25)23-8-10-29-11-9-23)24-7-6-17(19(24)26)22-30(27,28)12-16(21)14-2-4-15(20)5-3-14/h2-5,12-13,17,22H,6-11H2,1H3/b16-12-/t13-,17-/m0/s1
InChIKeyXIEVPXWCNCIZPT-DXNRTTSUSA-N
XLogP1.38
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The IUPAC name of (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide (CID 10434369) is (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide is C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C(\F)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The InChIKey is XIEVPXWCNCIZPT-DXNRTTSUSA-N. The full InChI is InChI=1S/C19H23ClFN3O5S/c1-13(18(25)23-8-10-29-11-9-23)24-7-6-17(19(24)26)22-30(27,28)12-16(21)14-2-4-15(20)5-3-14/h2-5,12-13,17,22H,6-11H2,1H3/b16-12-/t13-,17-/m0/s1.
What are the key properties of (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
(Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide has a molecular weight of 459.93 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 10434369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).