N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide

C35H36Cl2F4N2O3S — CID 123478967

About N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide

N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide (PubChem CID 123478967) has the molecular formula C35H36Cl2F4N2O3S and a molecular weight of 711.65 g/mol. Its IUPAC name is N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
• PubChem CID: 123478967
• Molecular Formula: C35H36Cl2F4N2O3S
• Molecular Weight: 711.65 g/mol
• Exact Mass: 710.18
• IUPAC Name: N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
• SMILES: C=CCC1(CC(F)(F)F)CN(C(CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C(c2ccc(Cl)cc2)C(c2cccc(Cl)c2)O1
• InChI: InChI=1S/C35H36Cl2F4N2O3S/c1-2-18-34(21-35(39,40)41)22-42(32(24-12-14-26(36)15-13-24)33(46-34)25-6-5-7-27(37)19-25)31(23-10-11-23)20-43(47(44,45)28-16-17-28)30-9-4-3-8-29(30)38/h2-9,12-15,19,23,28,31-33H,1,10-11,16-18,20-22H2
• InChIKey: MIOYCKSSHQQTTA-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.65
LogP ≤ 5	9.29
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-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The IUPAC name of N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide (CID 123478967) is N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide.

What is the SMILES notation for N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The canonical SMILES for N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide is C=CCC1(CC(F)(F)F)CN(C(CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C(c2ccc(Cl)cc2)C(c2cccc(Cl)c2)O1.

What is the InChIKey of N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The InChIKey is MIOYCKSSHQQTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36Cl2F4N2O3S/c1-2-18-34(21-35(39,40)41)22-42(32(24-12-14-26(36)15-13-24)33(46-34)25-6-5-7-27(37)19-25)31(23-10-11-23)20-43(47(44,45)28-16-17-28)30-9-4-3-8-29(30)38/h2-9,12-15,19,23,28,31-33H,1,10-11,16-18,20-22H2.

What are the key properties of N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide has a molecular weight of 711.65 g/mol, XLogP of 9.29, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-prop-2-enyl-2-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide is sourced from PubChem (CID 123478967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).