N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C24H17F4N3O3S — CID 11960238

IUPACN-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1-c1ccc(COc2ccc(F)cc2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H17F4N3O3S/c25-18-9-11-19(12-10-18)34-15-16-5-7-17(8-6-16)22-23(30-14-13-29-22)31-35(32,33)21-4-2-1-3-20(21)24(26,27)28/h1-14H,15H2,(H,30,31)
InChIKeyIIQAEIKLTAJTNG-UHFFFAOYSA-N
MW503.48 g/mol
LogP5.68
Rot. Bonds7

About N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 11960238) has the molecular formula C24H17F4N3O3S and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID11960238
Molecular FormulaC24H17F4N3O3S
Molecular Weight503.48 g/mol
Exact Mass503.09
IUPAC NameN-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1-c1ccc(COc2ccc(F)cc2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H17F4N3O3S/c25-18-9-11-19(12-10-18)34-15-16-5-7-17(8-6-16)22-23(30-14-13-29-22)31-35(32,33)21-4-2-1-3-20(21)24(26,27)28/h1-14H,15H2,(H,30,31)
InChIKeyIIQAEIKLTAJTNG-UHFFFAOYSA-N
XLogP5.68
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 11960238) is N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc(F)cc2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IIQAEIKLTAJTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O3S/c25-18-9-11-19(12-10-18)34-15-16-5-7-17(8-6-16)22-23(30-14-13-29-22)31-35(32,33)21-4-2-1-3-20(21)24(26,27)28/h1-14H,15H2,(H,30,31).
What are the key properties of N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 503.48 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-fluorophenoxy)methyl]phenyl]pyrazin-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11960238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).