1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide

C19H19FN4O2S — CID 90313025

IUPAC1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C19H19FN4O2S/c1-2-24-27(25,26)12-14-5-3-4-6-15(14)13-7-8-16(17(20)9-13)18-10-23-19(21)11-22-18/h3-11,24H,2,12H2,1H3,(H2,21,23)
InChIKeyFXRGVQGIVCFOLX-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide

1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide (PubChem CID 90313025) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
PubChem CID90313025
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C19H19FN4O2S/c1-2-24-27(25,26)12-14-5-3-4-6-15(14)13-7-8-16(17(20)9-13)18-10-23-19(21)11-22-18/h3-11,24H,2,12H2,1H3,(H2,21,23)
InChIKeyFXRGVQGIVCFOLX-UHFFFAOYSA-N
XLogP2.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CID 11525190
N-[3-(4-{[(4-Fluoro-phenyl)-methyl-amino]-methyl}-phenyl)-pyrazin-2-yl]-2-trifluoromethyl-benzenesulfonamide
CID 57444239
N-(3-(3-Aminoisoquinolin-7-yl)-2,4-difluorophenyl)propane-1-sulfonamide
CID 70696122
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 71711842
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]-N-methyl-benzenesulfonamide
CID 71711988
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 77050680
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 77844749
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976
5-[4-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine
CID 76899981
5-{2'-[(3,3-Difluoropiperidin-1-yl)sulfonyl]-3-fluorobiphenyl-4-yl}pyrazin-2-amine
CID 77844190
(1-{[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]sulfonyl}piperidin-4-yl)methanol
CID 77844324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide?
The IUPAC name of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide (CID 90313025) is 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide is CCNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.
What is the InChIKey of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide?
The InChIKey is FXRGVQGIVCFOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-2-24-27(25,26)12-14-5-3-4-6-15(14)13-7-8-16(17(20)9-13)18-10-23-19(21)11-22-18/h3-11,24H,2,12H2,1H3,(H2,21,23).
What are the key properties of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide?
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 90313025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).