N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide

C35H32F11NO4S — CID 118218886

About N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide

N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 118218886) has the molecular formula C35H32F11NO4S and a molecular weight of 771.69 g/mol. Its IUPAC name is N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide
• PubChem CID: 118218886
• Molecular Formula: C35H32F11NO4S
• Molecular Weight: 771.69 g/mol
• Exact Mass: 771.19
• IUPAC Name: N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide
• SMILES: O=C(NC1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C35H32F11NO4S/c36-24-8-10-26(11-9-24)52(49,50)31(16-14-25(15-17-31)47-30(48)21-12-18-32(39,40)19-13-21)22-4-6-23(7-5-22)33(34(41,42)43,35(44,45)46)51-20-27-28(37)2-1-3-29(27)38/h1-11,21,25H,12-20H2,(H,47,48)
• InChIKey: GEWBRBVIMUUCKX-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.69
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide?

The IUPAC name of N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide (CID 118218886) is N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide.

What is the SMILES notation for N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide?

The canonical SMILES for N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide is O=C(NC1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide?

The InChIKey is GEWBRBVIMUUCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F11NO4S/c36-24-8-10-26(11-9-24)52(49,50)31(16-14-25(15-17-31)47-30(48)21-12-18-32(39,40)19-13-21)22-4-6-23(7-5-22)33(34(41,42)43,35(44,45)46)51-20-27-28(37)2-1-3-29(27)38/h1-11,21,25H,12-20H2,(H,47,48).

What are the key properties of N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide?

N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 771.69 g/mol, XLogP of 9.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 118218886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).