6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide

C20H15FN4O4S — CID 166595876

IUPAC6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2nccnc12)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C20H15FN4O4S/c21-14-9-12(25-7-2-8-25)10-16-13(14)11-17(29-16)20(26)24-30(27,28)18-4-1-3-15-19(18)23-6-5-22-15/h1,3-6,9-11H,2,7-8H2,(H,24,26)
InChIKeyRRFBQYYGUKGMKY-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.84
Rot. Bonds4

About 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide

6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide (PubChem CID 166595876) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide
PubChem CID166595876
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Name6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2nccnc12)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C20H15FN4O4S/c21-14-9-12(25-7-2-8-25)10-16-13(14)11-17(29-16)20(26)24-30(27,28)18-4-1-3-15-19(18)23-6-5-22-15/h1,3-6,9-11H,2,7-8H2,(H,24,26)
InChIKeyRRFBQYYGUKGMKY-UHFFFAOYSA-N
XLogP2.84
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide (CID 166595876) is 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide is O=C(NS(=O)(=O)c1cccc2nccnc12)c1cc2c(F)cc(N3CCC3)cc2o1.
What is the InChIKey of 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is RRFBQYYGUKGMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c21-14-9-12(25-7-2-8-25)10-16-13(14)11-17(29-16)20(26)24-30(27,28)18-4-1-3-15-19(18)23-6-5-22-15/h1,3-6,9-11H,2,7-8H2,(H,24,26).
What are the key properties of 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide?
6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-4-fluoro-N-quinoxalin-5-ylsulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).