[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide

C18H12F3N5O3S — CID 169108288

IUPAC[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESN#Cc1cc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cnc1CS(N)(=O)=O
InChIInChI=1S/C18H12F3N5O3S/c19-18(20,21)13-1-3-14(4-2-13)29-17-16(24-5-6-25-17)12-7-11(8-22)15(26-9-12)10-30(23,27)28/h1-7,9H,10H2,(H2,23,27,28)
InChIKeyPBRSLGPCINYWCW-UHFFFAOYSA-N
MW435.39 g/mol
LogP3.01
Rot. Bonds5

About [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide

[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 169108288) has the molecular formula C18H12F3N5O3S and a molecular weight of 435.39 g/mol. Its IUPAC name is [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide
PubChem CID169108288
Molecular FormulaC18H12F3N5O3S
Molecular Weight435.39 g/mol
Exact Mass435.06
IUPAC Name[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESN#Cc1cc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cnc1CS(N)(=O)=O
InChIInChI=1S/C18H12F3N5O3S/c19-18(20,21)13-1-3-14(4-2-13)29-17-16(24-5-6-25-17)12-7-11(8-22)15(26-9-12)10-30(23,27)28/h1-7,9H,10H2,(H2,23,27,28)
InChIKeyPBRSLGPCINYWCW-UHFFFAOYSA-N
XLogP3.01
TPSA131.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
CID 169108748
2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3396042
2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108802
2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
CID 169108229
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
CID 169108089
5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
CID 167619040
2-(4-ethenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108695
3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 169107975
4-(3-phenylpyrazin-2-yl)oxybenzonitrile
CID 69174651
2-fluoro-N-methylsulfanyl-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]aniline
CID 169108586

Frequently Asked Questions

What is the IUPAC name of [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide (CID 169108288) is [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide is N#Cc1cc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cnc1CS(N)(=O)=O.
What is the InChIKey of [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is PBRSLGPCINYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O3S/c19-18(20,21)13-1-3-14(4-2-13)29-17-16(24-5-6-25-17)12-7-11(8-22)15(26-9-12)10-30(23,27)28/h1-7,9H,10H2,(H2,23,27,28).
What are the key properties of [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide?
[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 435.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 169108288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).