N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide

C31H24Cl2FN7O5S2 — CID 139450244

IUPACN-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1.O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H15ClN4O3S.C14H9ClFN3O2S/c1-22(2)17(23)11-7-9-12(10-8-11)26(24,25)21-16-15(18)19-13-5-3-4-6-14(13)20-16;15-13-14(18-12-4-2-1-3-11(12)17-13)19-22(20,21)10-7-5-9(16)6-8-10/h3-10H,1-2H3,(H,20,21);1-8H,(H,18,19)
InChIKeyWDPHAXBMWFNWOY-UHFFFAOYSA-N
MW728.62 g/mol
LogP6.01
Rot. Bonds7

About N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide

N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 139450244) has the molecular formula C31H24Cl2FN7O5S2 and a molecular weight of 728.62 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide
PubChem CID139450244
Molecular FormulaC31H24Cl2FN7O5S2
Molecular Weight728.62 g/mol
Exact Mass727.06
IUPAC NameN-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1.O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H15ClN4O3S.C14H9ClFN3O2S/c1-22(2)17(23)11-7-9-12(10-8-11)26(24,25)21-16-15(18)19-13-5-3-4-6-14(13)20-16;15-13-14(18-12-4-2-1-3-11(12)17-13)19-22(20,21)10-7-5-9(16)6-8-10/h3-10H,1-2H3,(H,20,21);1-8H,(H,18,19)
InChIKeyWDPHAXBMWFNWOY-UHFFFAOYSA-N
XLogP6.01
TPSA164.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.62
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate
CID 59353036
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
N-[4-[[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 26950479
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-[[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide
CID 56966113
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide (CID 139450244) is N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1.O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is WDPHAXBMWFNWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S.C14H9ClFN3O2S/c1-22(2)17(23)11-7-9-12(10-8-11)26(24,25)21-16-15(18)19-13-5-3-4-6-14(13)20-16;15-13-14(18-12-4-2-1-3-11(12)17-13)19-22(20,21)10-7-5-9(16)6-8-10/h3-10H,1-2H3,(H,20,21);1-8H,(H,18,19).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide?
N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 728.62 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 139450244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).