3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide

C21H12Cl2F2N4O4S — CID 118522061

IUPAC3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NF)c(Cl)c1)c1nc2ccccc2nc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C21H12Cl2F2N4O4S/c22-13-9-11(24)5-7-17(13)33-21-19(27-15-3-1-2-4-16(15)28-21)20(30)26-12-6-8-18(14(23)10-12)34(31,32)29-25/h1-10,29H,(H,26,30)
InChIKeyRGUAWZZEBATETO-UHFFFAOYSA-N
MW525.32 g/mol
LogP5.28
Rot. Bonds6

About 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide

3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 118522061) has the molecular formula C21H12Cl2F2N4O4S and a molecular weight of 525.32 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
PubChem CID118522061
Molecular FormulaC21H12Cl2F2N4O4S
Molecular Weight525.32 g/mol
Exact Mass523.99
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NF)c(Cl)c1)c1nc2ccccc2nc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C21H12Cl2F2N4O4S/c22-13-9-11(24)5-7-17(13)33-21-19(27-15-3-1-2-4-16(15)28-21)20(30)26-12-6-8-18(14(23)10-12)34(31,32)29-25/h1-10,29H,(H,26,30)
InChIKeyRGUAWZZEBATETO-UHFFFAOYSA-N
XLogP5.28
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.32
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 172716708
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 78319525
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
CID 144678750
2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide
CID 118522048
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 78319432
N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 118376009
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide (CID 118522061) is 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NF)c(Cl)c1)c1nc2ccccc2nc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is RGUAWZZEBATETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F2N4O4S/c22-13-9-11(24)5-7-17(13)33-21-19(27-15-3-1-2-4-16(15)28-21)20(30)26-12-6-8-18(14(23)10-12)34(31,32)29-25/h1-10,29H,(H,26,30).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide?
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 525.32 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 118522061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).