N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide

C23H17Cl2IN4O3S — CID 69435405

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H17Cl2IN4O3S/c24-15-5-4-14(18(25)12-15)8-9-29-23(31)17-7-6-16(26)13-20(17)30-34(32,33)21-3-1-2-19-22(21)28-11-10-27-19/h1-7,10-13,30H,8-9H2,(H,29,31)
InChIKeyRPWLUMNMFKZCAD-UHFFFAOYSA-N
MW627.29 g/mol
LogP5.31
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide

N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide (PubChem CID 69435405) has the molecular formula C23H17Cl2IN4O3S and a molecular weight of 627.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide
PubChem CID69435405
Molecular FormulaC23H17Cl2IN4O3S
Molecular Weight627.29 g/mol
Exact Mass625.94
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H17Cl2IN4O3S/c24-15-5-4-14(18(25)12-15)8-9-29-23(31)17-7-6-16(26)13-20(17)30-34(32,33)21-3-1-2-19-22(21)28-11-10-27-19/h1-7,10-13,30H,8-9H2,(H,29,31)
InChIKeyRPWLUMNMFKZCAD-UHFFFAOYSA-N
XLogP5.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.29
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67199570
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2,4-dichlorophenyl)methyl]-4-iodobenzamide
CID 58906279
3-(4-chlorophenyl)-2-[[4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 58999898
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2,4-dichlorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 11388059
N-[2-(azepane-1-carbonyl)-5-iodophenyl]quinoxaline-5-sulfonamide
CID 11444027
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-fluoro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11318350
4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11192016
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[2-(3,4-dichlorophenyl)propyl]-4-iodobenzamide
CID 11707278
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 11167847
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 25014170
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(2-methylphenyl)methyl]benzamide
CID 58906281

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide (CID 69435405) is N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide is O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The InChIKey is RPWLUMNMFKZCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2IN4O3S/c24-15-5-4-14(18(25)12-15)8-9-29-23(31)17-7-6-16(26)13-20(17)30-34(32,33)21-3-1-2-19-22(21)28-11-10-27-19/h1-7,10-13,30H,8-9H2,(H,29,31).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide has a molecular weight of 627.29 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 69435405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).