N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide

C18H13F4N3O3S — CID 169108748

IUPACN-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C18H13F4N3O3S/c1-29(26,27)25-15-7-2-11(10-14(15)19)16-17(24-9-8-23-16)28-13-5-3-12(4-6-13)18(20,21)22/h2-10,25H,1H3
InChIKeyCWNNPDJJTSVBSH-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.47
Rot. Bonds5

About N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide

N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide (PubChem CID 169108748) has the molecular formula C18H13F4N3O3S and a molecular weight of 427.38 g/mol. Its IUPAC name is N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
PubChem CID169108748
Molecular FormulaC18H13F4N3O3S
Molecular Weight427.38 g/mol
Exact Mass427.06
IUPAC NameN-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C18H13F4N3O3S/c1-29(26,27)25-15-7-2-11(10-14(15)19)16-17(24-9-8-23-16)28-13-5-3-12(4-6-13)18(20,21)22/h2-10,25H,1H3
InChIKeyCWNNPDJJTSVBSH-UHFFFAOYSA-N
XLogP4.47
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide (CID 169108748) is N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide?
The InChIKey is CWNNPDJJTSVBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O3S/c1-29(26,27)25-15-7-2-11(10-14(15)19)16-17(24-9-8-23-16)28-13-5-3-12(4-6-13)18(20,21)22/h2-10,25H,1H3.
What are the key properties of N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide?
N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide has a molecular weight of 427.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 169108748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).