2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide

C25H23F5N2O3S — CID 166747889

IUPAC2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)N1CCOC(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C25H23F5N2O3S/c26-21-9-3-18(4-10-21)24(19-5-11-22(27)12-6-19)23-16-32(13-14-35-23)36(33,34)31-15-17-1-7-20(8-2-17)25(28,29)30/h1-12,23-24,31H,13-16H2
InChIKeyHCVFYTKAIWQHDC-UHFFFAOYSA-N
MW526.53 g/mol
LogP4.85
Rot. Bonds7

About 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide

2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide (PubChem CID 166747889) has the molecular formula C25H23F5N2O3S and a molecular weight of 526.53 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide
PubChem CID166747889
Molecular FormulaC25H23F5N2O3S
Molecular Weight526.53 g/mol
Exact Mass526.13
IUPAC Name2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)N1CCOC(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C25H23F5N2O3S/c26-21-9-3-18(4-10-21)24(19-5-11-22(27)12-6-19)23-16-32(13-14-35-23)36(33,34)31-15-17-1-7-20(8-2-17)25(28,29)30/h1-12,23-24,31H,13-16H2
InChIKeyHCVFYTKAIWQHDC-UHFFFAOYSA-N
XLogP4.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide (CID 166747889) is 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)cc1)N1CCOC(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide?
The InChIKey is HCVFYTKAIWQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N2O3S/c26-21-9-3-18(4-10-21)24(19-5-11-22(27)12-6-19)23-16-32(13-14-35-23)36(33,34)31-15-17-1-7-20(8-2-17)25(28,29)30/h1-12,23-24,31H,13-16H2.
What are the key properties of 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide?
2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide has a molecular weight of 526.53 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 166747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).