2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine

C15H13FN4O2S — CID 99784743

IUPAC2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine
SMILESC[C@H](c1cnccn1)S(=O)(=O)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C15H13FN4O2S/c1-11(14-10-17-5-6-18-14)23(21,22)15-19-7-8-20(15)13-4-2-3-12(16)9-13/h2-11H,1H3/t11-/m1/s1
InChIKeyRKKCWXXXJPWDEZ-LLVKDONJSA-N
MW332.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine

2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine (PubChem CID 99784743) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine.

Molecular Properties

Compound Name2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine
PubChem CID99784743
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine
SMILESC[C@H](c1cnccn1)S(=O)(=O)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C15H13FN4O2S/c1-11(14-10-17-5-6-18-14)23(21,22)15-19-7-8-20(15)13-4-2-3-12(16)9-13/h2-11H,1H3/t11-/m1/s1
InChIKeyRKKCWXXXJPWDEZ-LLVKDONJSA-N
XLogP2.34
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine?
The IUPAC name of 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine (CID 99784743) is 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine.
What is the SMILES notation for 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine?
The canonical SMILES for 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine is C[C@H](c1cnccn1)S(=O)(=O)c1nccn1-c1cccc(F)c1.
What is the InChIKey of 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine?
The InChIKey is RKKCWXXXJPWDEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-11(14-10-17-5-6-18-14)23(21,22)15-19-7-8-20(15)13-4-2-3-12(16)9-13/h2-11H,1H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine?
2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine has a molecular weight of 332.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine is sourced from PubChem (CID 99784743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).