4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C14H10Cl2N2O3S — CID 2476678

IUPAC4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2N1
InChIInChI=1S/C14H10Cl2N2O3S/c15-9-5-6-10(16)13(7-9)22(20,21)18-8-14(19)17-11-3-1-2-4-12(11)18/h1-7H,8H2,(H,17,19)
InChIKeyZQLTZNRCKBSAFI-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.14
Rot. Bonds2

About 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 2476678) has the molecular formula C14H10Cl2N2O3S and a molecular weight of 357.22 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID2476678
Molecular FormulaC14H10Cl2N2O3S
Molecular Weight357.22 g/mol
Exact Mass355.98
IUPAC Name4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2N1
InChIInChI=1S/C14H10Cl2N2O3S/c15-9-5-6-10(16)13(7-9)22(20,21)18-8-14(19)17-11-3-1-2-4-12(11)18/h1-7H,8H2,(H,17,19)
InChIKeyZQLTZNRCKBSAFI-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
4-(4-Fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093238
N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274479
N-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}phenyl)-N-methylacetamide
CID 1214257
2-{4-[(2,5-dichlorophenyl)sulfonyl]piperazin-1-yl}-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3954803
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 5019114
4-(4-Chlorobenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 1093239
2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
CID 142296611
N-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 1150854
4-(2,3-Dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 2445407
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 2655562

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 2476678) is 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2N1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZQLTZNRCKBSAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S/c15-9-5-6-10(16)13(7-9)22(20,21)18-8-14(19)17-11-3-1-2-4-12(11)18/h1-7H,8H2,(H,17,19).
What are the key properties of 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 357.22 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2476678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).