2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine

C14H15FN2O3S — CID 102197514

IUPAC2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine
SMILESCC(C)(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN2O3S/c1-14(2,3)21(18,19)13-9-16-12(8-17-13)20-11-6-4-10(15)5-7-11/h4-9H,1-3H3
InChIKeyZVZDYWYSUQKVME-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.98
Rot. Bonds3

About 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine

2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine (PubChem CID 102197514) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine
PubChem CID102197514
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine
SMILESCC(C)(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN2O3S/c1-14(2,3)21(18,19)13-9-16-12(8-17-13)20-11-6-4-10(15)5-7-11/h4-9H,1-3H3
InChIKeyZVZDYWYSUQKVME-UHFFFAOYSA-N
XLogP2.98
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine?
The IUPAC name of 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine (CID 102197514) is 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine.
What is the SMILES notation for 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine?
The canonical SMILES for 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine is CC(C)(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2)cn1.
What is the InChIKey of 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine?
The InChIKey is ZVZDYWYSUQKVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-14(2,3)21(18,19)13-9-16-12(8-17-13)20-11-6-4-10(15)5-7-11/h4-9H,1-3H3.
What are the key properties of 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine?
2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine has a molecular weight of 310.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-5-(4-fluorophenoxy)pyrazine is sourced from PubChem (CID 102197514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).