4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one

C16H12ClFN2O4S — CID 75456347

IUPAC4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)c2cccc(F)c2N1
InChIInChI=1S/C16H12ClFN2O4S/c17-10-6-9-4-5-24-16(9)13(7-10)25(22,23)20-8-14(21)19-15-11(18)2-1-3-12(15)20/h1-3,6-7H,4-5,8H2,(H,19,21)
InChIKeyCVSKSCHOWGZFGI-UHFFFAOYSA-N
MW382.80 g/mol
LogP2.56
Rot. Bonds2

About 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one

4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one (PubChem CID 75456347) has the molecular formula C16H12ClFN2O4S and a molecular weight of 382.80 g/mol. Its IUPAC name is 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one
PubChem CID75456347
Molecular FormulaC16H12ClFN2O4S
Molecular Weight382.80 g/mol
Exact Mass382.02
IUPAC Name4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)c2cccc(F)c2N1
InChIInChI=1S/C16H12ClFN2O4S/c17-10-6-9-4-5-24-16(9)13(7-10)25(22,23)20-8-14(21)19-15-11(18)2-1-3-12(15)20/h1-3,6-7H,4-5,8H2,(H,19,21)
InChIKeyCVSKSCHOWGZFGI-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one (CID 75456347) is 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)c2cccc(F)c2N1.
What is the InChIKey of 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one?
The InChIKey is CVSKSCHOWGZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O4S/c17-10-6-9-4-5-24-16(9)13(7-10)25(22,23)20-8-14(21)19-15-11(18)2-1-3-12(15)20/h1-3,6-7H,4-5,8H2,(H,19,21).
What are the key properties of 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one?
4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one has a molecular weight of 382.80 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-8-fluoro-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 75456347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).