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

C14H10F2N2O3S — CID 86799239

IUPAC4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(F)c2F)c2ccccc2N1
InChIInChI=1S/C14H10F2N2O3S/c15-9-4-3-7-12(14(9)16)22(20,21)18-8-13(19)17-10-5-1-2-6-11(10)18/h1-7H,8H2,(H,17,19)
InChIKeyRNROUKLQEKNTCN-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.11
Rot. Bonds2

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

4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 86799239) has the molecular formula C14H10F2N2O3S and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID86799239
Molecular FormulaC14H10F2N2O3S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC Name4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(F)c2F)c2ccccc2N1
InChIInChI=1S/C14H10F2N2O3S/c15-9-4-3-7-12(14(9)16)22(20,21)18-8-13(19)17-10-5-1-2-6-11(10)18/h1-7H,8H2,(H,17,19)
InChIKeyRNROUKLQEKNTCN-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75449015
4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60723912
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one
CID 86799240
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 107650918
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 20939783
4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 79369663
4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 7335367

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 86799239) is 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2cccc(F)c2F)c2ccccc2N1.
What is the InChIKey of 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is RNROUKLQEKNTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S/c15-9-4-3-7-12(14(9)16)22(20,21)18-8-13(19)17-10-5-1-2-6-11(10)18/h1-7H,8H2,(H,17,19).
What are the key properties of 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 324.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 86799239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).