1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide

C40H42F6N2O14S3 — CID 173031277

About 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide (PubChem CID 173031277) has the molecular formula C40H42F6N2O14S3 and a molecular weight of 984.96 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide
• PubChem CID: 173031277
• Molecular Formula: C40H42F6N2O14S3
• Molecular Weight: 984.96 g/mol
• Exact Mass: 984.17
• IUPAC Name: 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide
• SMILES: COc1cc(OC)c(C=CC(c2ccc(OC)c(NS(=O)(=O)C(F)(F)F)c2)S(=O)(=O)C(C=Cc2c(OC)cc(OC)cc2OC)c2ccc(OC)c(NS(=O)(=O)C(F)(F)F)c2)c(OC)c1
• InChI: InChI=1S/C40H42F6N2O14S3/c1-55-25-19-33(59-5)27(34(20-25)60-6)11-15-37(23-9-13-31(57-3)29(17-23)47-64(51,52)39(41,42)43)63(49,50)38(16-12-28-35(61-7)21-26(56-2)22-36(28)62-8)24-10-14-32(58-4)30(18-24)48-65(53,54)40(44,45)46/h9-22,37-38,47-48H,1-8H3
• InChIKey: FYMSQCAQHDBPAV-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 200.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.96
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide?

The IUPAC name of 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide (CID 173031277) is 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide.

What is the SMILES notation for 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide?

The canonical SMILES for 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide is COc1cc(OC)c(C=CC(c2ccc(OC)c(NS(=O)(=O)C(F)(F)F)c2)S(=O)(=O)C(C=Cc2c(OC)cc(OC)cc2OC)c2ccc(OC)c(NS(=O)(=O)C(F)(F)F)c2)c(OC)c1.

What is the InChIKey of 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide?

The InChIKey is FYMSQCAQHDBPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42F6N2O14S3/c1-55-25-19-33(59-5)27(34(20-25)60-6)11-15-37(23-9-13-31(57-3)29(17-23)47-64(51,52)39(41,42)43)63(49,50)38(16-12-28-35(61-7)21-26(56-2)22-36(28)62-8)24-10-14-32(58-4)30(18-24)48-65(53,54)40(44,45)46/h9-22,37-38,47-48H,1-8H3.

What are the key properties of 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide?

1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide has a molecular weight of 984.96 g/mol, XLogP of 7.90, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 173031277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).