N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide

C32H30Cl2F4N2O4S — CID 90341765

About N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide

N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide (PubChem CID 90341765) has the molecular formula C32H30Cl2F4N2O4S and a molecular weight of 685.57 g/mol. Its IUPAC name is N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
• PubChem CID: 90341765
• Molecular Formula: C32H30Cl2F4N2O4S
• Molecular Weight: 685.57 g/mol
• Exact Mass: 684.12
• IUPAC Name: N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
• SMILES: C=CC[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C(CN(c2ccccc2F)S(=O)(=O)C2CC2)CC(F)(F)F)C1=O
• InChI: InChI=1S/C32H30Cl2F4N2O4S/c1-2-6-28-31(41)40(29(20-11-13-22(33)14-12-20)30(44-28)21-7-5-8-23(34)17-21)24(18-32(36,37)38)19-39(45(42,43)25-15-16-25)27-10-4-3-9-26(27)35/h2-5,7-14,17,24-25,28-30H,1,6,15-16,18-19H2/t24?,28-,29-,30-/m1/s1
• InChIKey: NSNGDLUDRVDOAY-JQFBCDDISA-N
• XLogP: 8.04
• TPSA: 66.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.57
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The IUPAC name of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide (CID 90341765) is N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide.

What is the SMILES notation for N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The canonical SMILES for N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide is C=CC[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C(CN(c2ccccc2F)S(=O)(=O)C2CC2)CC(F)(F)F)C1=O.

What is the InChIKey of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The InChIKey is NSNGDLUDRVDOAY-JQFBCDDISA-N. The full InChI is InChI=1S/C32H30Cl2F4N2O4S/c1-2-6-28-31(41)40(29(20-11-13-22(33)14-12-20)30(44-28)21-7-5-8-23(34)17-21)24(18-32(36,37)38)19-39(45(42,43)25-15-16-25)27-10-4-3-9-26(27)35/h2-5,7-14,17,24-25,28-30H,1,6,15-16,18-19H2/t24?,28-,29-,30-/m1/s1.

What are the key properties of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide has a molecular weight of 685.57 g/mol, XLogP of 8.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]-4,4,4-trifluorobutyl]-N-(2-fluorophenyl)cyclopropanesulfonamide is sourced from PubChem (CID 90341765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).