N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C26H17F7N2O2S — CID 73353939

IUPACN-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1c(-c2ccccc2F)ccnc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H17F7N2O2S/c27-23-9-5-4-8-21(23)20-10-11-34-24(16-6-2-1-3-7-16)22(20)15-35-38(36,37)19-13-17(25(28,29)30)12-18(14-19)26(31,32)33/h1-14,35H,15H2
InChIKeyAXLREWOYOXGTNE-UHFFFAOYSA-N
MW554.49 g/mol
LogP7.07
Rot. Bonds6

About N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 73353939) has the molecular formula C26H17F7N2O2S and a molecular weight of 554.49 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID73353939
Molecular FormulaC26H17F7N2O2S
Molecular Weight554.49 g/mol
Exact Mass554.09
IUPAC NameN-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1c(-c2ccccc2F)ccnc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H17F7N2O2S/c27-23-9-5-4-8-21(23)20-10-11-34-24(16-6-2-1-3-7-16)22(20)15-35-38(36,37)19-13-17(25(28,29)30)12-18(14-19)26(31,32)33/h1-14,35H,15H2
InChIKeyAXLREWOYOXGTNE-UHFFFAOYSA-N
XLogP7.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.49
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 73353939) is N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1c(-c2ccccc2F)ccnc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is AXLREWOYOXGTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F7N2O2S/c27-23-9-5-4-8-21(23)20-10-11-34-24(16-6-2-1-3-7-16)22(20)15-35-38(36,37)19-13-17(25(28,29)30)12-18(14-19)26(31,32)33/h1-14,35H,15H2.
What are the key properties of N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 554.49 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)-2-phenyl-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 73353939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).