5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C18H14F3N3O2S — CID 71711842

IUPAC5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H14F3N3O2S/c1-27(25,26)14-8-4-11(5-9-14)15-10-23-17(22)16(24-15)12-2-6-13(7-3-12)18(19,20)21/h2-10H,1H3,(H2,22,23)
InChIKeyFRRKZFCMZMHXEM-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.82
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 71711842) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID71711842
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H14F3N3O2S/c1-27(25,26)14-8-4-11(5-9-14)15-10-23-17(22)16(24-15)12-2-6-13(7-3-12)18(19,20)21/h2-10H,1H3,(H2,22,23)
InChIKeyFRRKZFCMZMHXEM-UHFFFAOYSA-N
XLogP3.82
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mmv-048
CID 53311393
3-(5-Phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155510809
SB 203580, Sulfone
CID 6610350
1-(4-Methanesulfonyl-phenyl)-2-p-tolyl-4-trifluoromethyl-1H-imidazole
CID 10199764
1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-1H-imidazole
CID 11121068
5-(4-Methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53259031
5-(4-Methylsulfonylphenyl)-3-(3-pyridyl)pyridin-2-amine
CID 53311135
4-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
CID 53311136
5-(4-Methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine
CID 53311218
5-(4-Methylsulfonylphenyl)-3-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-amine
CID 53311310
3-(6-Methyl-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311392
3-(6-Fluoro-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311562

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 71711842) is 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is FRRKZFCMZMHXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-8-4-11(5-9-14)15-10-23-17(22)16(24-15)12-2-6-13(7-3-12)18(19,20)21/h2-10H,1H3,(H2,22,23).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 393.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 71711842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).