N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide

C25H23FN4O3S — CID 55946409

IUPACN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cccc(S(=O)(=O)NCc4cccc(F)c4)c3)cc2nc1C
InChIInChI=1S/C25H23FN4O3S/c1-16-17(2)30-24-13-20(9-10-23(24)29-16)25(31)27-14-19-6-4-8-22(12-19)34(32,33)28-15-18-5-3-7-21(26)11-18/h3-13,28H,14-15H2,1-2H3,(H,27,31)
InChIKeyBXZPITTYYLTQNA-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.79
Rot. Bonds7

About N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 55946409) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID55946409
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cccc(S(=O)(=O)NCc4cccc(F)c4)c3)cc2nc1C
InChIInChI=1S/C25H23FN4O3S/c1-16-17(2)30-24-13-20(9-10-23(24)29-16)25(31)27-14-19-6-4-8-22(12-19)34(32,33)28-15-18-5-3-7-21(26)11-18/h3-13,28H,14-15H2,1-2H3,(H,27,31)
InChIKeyBXZPITTYYLTQNA-UHFFFAOYSA-N
XLogP3.79
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 54583242
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133482259
2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16666176
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 55946409) is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCc3cccc(S(=O)(=O)NCc4cccc(F)c4)c3)cc2nc1C.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is BXZPITTYYLTQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-16-17(2)30-24-13-20(9-10-23(24)29-16)25(31)27-14-19-6-4-8-22(12-19)34(32,33)28-15-18-5-3-7-21(26)11-18/h3-13,28H,14-15H2,1-2H3,(H,27,31).
What are the key properties of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55946409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).