6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C14H9ClF2N2O3S — CID 45272706

IUPAC6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2c(F)cccc2F)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H9ClF2N2O3S/c15-8-4-5-11-12(6-8)19(7-13(20)18-11)23(21,22)14-9(16)2-1-3-10(14)17/h1-6H,7H2,(H,18,20)
InChIKeyUPQSOGSAYZRTAR-UHFFFAOYSA-N
MW358.75 g/mol
LogP2.77
Rot. Bonds2

About 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 45272706) has the molecular formula C14H9ClF2N2O3S and a molecular weight of 358.75 g/mol. Its IUPAC name is 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID45272706
Molecular FormulaC14H9ClF2N2O3S
Molecular Weight358.75 g/mol
Exact Mass358.00
IUPAC Name6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2c(F)cccc2F)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H9ClF2N2O3S/c15-8-4-5-11-12(6-8)19(7-13(20)18-11)23(21,22)14-9(16)2-1-3-10(14)17/h1-6H,7H2,(H,18,20)
InChIKeyUPQSOGSAYZRTAR-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 45272706) is 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2c(F)cccc2F)c2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is UPQSOGSAYZRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O3S/c15-8-4-5-11-12(6-8)19(7-13(20)18-11)23(21,22)14-9(16)2-1-3-10(14)17/h1-6H,7H2,(H,18,20).
What are the key properties of 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.75 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 45272706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).