N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide

C33H33Cl2FN6O4S — CID 90341731

About N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide

N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide (PubChem CID 90341731) has the molecular formula C33H33Cl2FN6O4S and a molecular weight of 699.64 g/mol. Its IUPAC name is N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
• PubChem CID: 90341731
• Molecular Formula: C33H33Cl2FN6O4S
• Molecular Weight: 699.64 g/mol
• Exact Mass: 698.16
• IUPAC Name: N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
• SMILES: Cn1nnc(C[C@H]2O[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N(C(CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1
• InChI: InChI=1S/C33H33Cl2FN6O4S/c1-40-38-30(37-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36/h2-8,11-14,17,20,25,28-29,31-32H,9-10,15-16,18-19H2,1H3/t28?,29-,31-,32-/m1/s1
• InChIKey: FUTZQSDGDMETHP-PRYODLOFSA-N
• XLogP: 5.69
• TPSA: 110.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.64
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The IUPAC name of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide (CID 90341731) is N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide.

What is the SMILES notation for N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The canonical SMILES for N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide is Cn1nnc(C[C@H]2O[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N(C(CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1.

What is the InChIKey of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

The InChIKey is FUTZQSDGDMETHP-PRYODLOFSA-N. The full InChI is InChI=1S/C33H33Cl2FN6O4S/c1-40-38-30(37-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36/h2-8,11-14,17,20,25,28-29,31-32H,9-10,15-16,18-19H2,1H3/t28?,29-,31-,32-/m1/s1.

What are the key properties of N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide?

N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide has a molecular weight of 699.64 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide is sourced from PubChem (CID 90341731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).