N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide

C23H18FIN4O3S — CID 11342186

IUPACN-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H18FIN4O3S/c1-29(14-15-5-7-16(24)8-6-15)23(30)18-10-9-17(25)13-20(18)28-33(31,32)21-4-2-3-19-22(21)27-12-11-26-19/h2-13,28H,14H2,1H3
InChIKeyZYJPBMQIZUXAFA-UHFFFAOYSA-N
MW576.39 g/mol
LogP4.45
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide

N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide (PubChem CID 11342186) has the molecular formula C23H18FIN4O3S and a molecular weight of 576.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide
PubChem CID11342186
Molecular FormulaC23H18FIN4O3S
Molecular Weight576.39 g/mol
Exact Mass576.01
IUPAC NameN-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H18FIN4O3S/c1-29(14-15-5-7-16(24)8-6-15)23(30)18-10-9-17(25)13-20(18)28-33(31,32)21-4-2-3-19-22(21)27-12-11-26-19/h2-13,28H,14H2,1H3
InChIKeyZYJPBMQIZUXAFA-UHFFFAOYSA-N
XLogP4.45
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide (CID 11342186) is N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The InChIKey is ZYJPBMQIZUXAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FIN4O3S/c1-29(14-15-5-7-16(24)8-6-15)23(30)18-10-9-17(25)13-20(18)28-33(31,32)21-4-2-3-19-22(21)27-12-11-26-19/h2-13,28H,14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide?
N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide has a molecular weight of 576.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-iodo-N-methyl-2-(quinoxalin-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 11342186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).