4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one

C10H11ClN2O3S — CID 107650918

IUPAC4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)CCCl)c2ccccc2N1
InChIInChI=1S/C10H11ClN2O3S/c11-5-6-17(15,16)13-7-10(14)12-8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H,12,14)
InChIKeyARSBJXUNHOWJPB-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.01
Rot. Bonds3

About 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one

4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 107650918) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID107650918
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)CCCl)c2ccccc2N1
InChIInChI=1S/C10H11ClN2O3S/c11-5-6-17(15,16)13-7-10(14)12-8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H,12,14)
InChIKeyARSBJXUNHOWJPB-UHFFFAOYSA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]propanoic acid
CID 28822178
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one
CID 86799240
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239
4-aminooxy-1,3-dihydroquinoxalin-2-one
CID 176828286
4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 79369663
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60723912
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
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
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one (CID 107650918) is 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)CCCl)c2ccccc2N1.
What is the InChIKey of 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is ARSBJXUNHOWJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-5-6-17(15,16)13-7-10(14)12-8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H,12,14).
What are the key properties of 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one?
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 274.73 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 107650918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).