N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide

C23H19ClN4O3S — CID 67013162

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESCC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O3S/c1-15(16-9-11-17(24)12-10-16)27-23(29)18-5-2-3-6-19(18)28-32(30,31)21-8-4-7-20-22(21)26-14-13-25-20/h2-15,28H,1H3,(H,27,29)
InChIKeyZJLODVSGBSZCQI-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.57
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide

N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (PubChem CID 67013162) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
PubChem CID67013162
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESCC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O3S/c1-15(16-9-11-17(24)12-10-16)27-23(29)18-5-2-3-6-19(18)28-32(30,31)21-8-4-7-20-22(21)26-14-13-25-20/h2-15,28H,1H3,(H,27,29)
InChIKeyZJLODVSGBSZCQI-UHFFFAOYSA-N
XLogP4.57
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11192016
N-[1-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67199570
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-fluoro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11318350
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760
N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67013095
4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 141141160
3-(4-chlorophenyl)-2-[[4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 58999898
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 20796159
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (CID 67013162) is N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is CC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The InChIKey is ZJLODVSGBSZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-15(16-9-11-17(24)12-10-16)27-23(29)18-5-2-3-6-19(18)28-32(30,31)21-8-4-7-20-22(21)26-14-13-25-20/h2-15,28H,1H3,(H,27,29).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide has a molecular weight of 466.95 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 67013162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).