2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine

C39H32F5N9O4S2 — CID 161080300

IUPAC2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
SMILESCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1
InChIInChI=1S/C20H15F4N5O2S.C19H17FN4O2S/c1-2-28-32(30,31)17-8-12(20(22,23)24)4-6-13(17)11-3-5-14(15(21)7-11)19-16(9-25)29-18(26)10-27-19;20-16-9-12(6-7-15(16)17-10-24-18(21)11-23-17)14-5-2-8-22-19(14)27(25,26)13-3-1-4-13/h3-8,10,28H,2H2,1H3,(H2,26,29);2,5-11,13H,1,3-4H2,(H2,21,24)
InChIKeyUFVAXYODICIHNK-UHFFFAOYSA-N
MW849.87 g/mol
LogP6.97
Rot. Bonds9

About 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine

2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine (PubChem CID 161080300) has the molecular formula C39H32F5N9O4S2 and a molecular weight of 849.87 g/mol. Its IUPAC name is 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
PubChem CID161080300
Molecular FormulaC39H32F5N9O4S2
Molecular Weight849.87 g/mol
Exact Mass849.19
IUPAC Name2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
SMILESCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1
InChIInChI=1S/C20H15F4N5O2S.C19H17FN4O2S/c1-2-28-32(30,31)17-8-12(20(22,23)24)4-6-13(17)11-3-5-14(15(21)7-11)19-16(9-25)29-18(26)10-27-19;20-16-9-12(6-7-15(16)17-10-24-18(21)11-23-17)14-5-2-8-22-19(14)27(25,26)13-3-1-4-13/h3-8,10,28H,2H2,1H3,(H2,26,29);2,5-11,13H,1,3-4H2,(H2,21,24)
InChIKeyUFVAXYODICIHNK-UHFFFAOYSA-N
XLogP6.97
TPSA220.59 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.87
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine with MolForge

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Related Compounds

5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
CID 90313745
5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90315188
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclobutylmethyl)benzenesulfonamide
CID 90312981
2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol
CID 90329838
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
CID 158276392
tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate
CID 90314275
3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile
CID 90313101
5-[2-fluoro-4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
CID 90313982
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025
tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate
CID 90326401
2-[4-(5-amino-6-cyanopyrazin-2-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90326411
N-[6-[6-amino-3-[4-[2-[(4-aminocyclohexyl)sulfamoyl]phenyl]-2-fluorophenyl]pyrazin-2-yl]-6-hydroxyhexyl]-2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide
CID 123704314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine (CID 161080300) is 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine is CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1.
What is the InChIKey of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is UFVAXYODICIHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O2S.C19H17FN4O2S/c1-2-28-32(30,31)17-8-12(20(22,23)24)4-6-13(17)11-3-5-14(15(21)7-11)19-16(9-25)29-18(26)10-27-19;20-16-9-12(6-7-15(16)17-10-24-18(21)11-23-17)14-5-2-8-22-19(14)27(25,26)13-3-1-4-13/h3-8,10,28H,2H2,1H3,(H2,26,29);2,5-11,13H,1,3-4H2,(H2,21,24).
What are the key properties of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 849.87 g/mol, XLogP of 6.97, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 161080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).