5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide

C14H12FN3O3S — CID 167978826

IUPAC5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)c2cnccn2)oc2ccc(F)cc12
InChIInChI=1S/C14H12FN3O3S/c1-9-11-7-10(15)3-4-12(11)21-14(9)22(19,20)18(2)13-8-16-5-6-17-13/h3-8H,1-2H3
InChIKeyBIJKKOABNCHULS-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.50
Rot. Bonds3

About 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide

5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide (PubChem CID 167978826) has the molecular formula C14H12FN3O3S and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide
PubChem CID167978826
Molecular FormulaC14H12FN3O3S
Molecular Weight321.33 g/mol
Exact Mass321.06
IUPAC Name5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)c2cnccn2)oc2ccc(F)cc12
InChIInChI=1S/C14H12FN3O3S/c1-9-11-7-10(15)3-4-12(11)21-14(9)22(19,20)18(2)13-8-16-5-6-17-13/h3-8H,1-2H3
InChIKeyBIJKKOABNCHULS-UHFFFAOYSA-N
XLogP2.50
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide?
The IUPAC name of 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide (CID 167978826) is 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide?
The canonical SMILES for 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide is Cc1c(S(=O)(=O)N(C)c2cnccn2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide?
The InChIKey is BIJKKOABNCHULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S/c1-9-11-7-10(15)3-4-12(11)21-14(9)22(19,20)18(2)13-8-16-5-6-17-13/h3-8H,1-2H3.
What are the key properties of 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide?
5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide has a molecular weight of 321.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 167978826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).