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

C23H18BrClN4O3S — CID 11192016

IUPAC4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H18BrClN4O3S/c1-14(15-5-8-17(25)9-6-15)28-23(30)18-10-7-16(24)13-20(18)29-33(31,32)21-4-2-3-19-22(21)27-12-11-26-19/h2-14,29H,1H3,(H,28,30)
InChIKeyPRTGCYAYGMDQLX-UHFFFAOYSA-N
MW545.85 g/mol
LogP5.34
Rot. Bonds6

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

4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (PubChem CID 11192016) has the molecular formula C23H18BrClN4O3S and a molecular weight of 545.85 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
PubChem CID11192016
Molecular FormulaC23H18BrClN4O3S
Molecular Weight545.85 g/mol
Exact Mass544.00
IUPAC Name4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H18BrClN4O3S/c1-14(15-5-8-17(25)9-6-15)28-23(30)18-10-7-16(24)13-20(18)29-33(31,32)21-4-2-3-19-22(21)27-12-11-26-19/h2-14,29H,1H3,(H,28,30)
InChIKeyPRTGCYAYGMDQLX-UHFFFAOYSA-N
XLogP5.34
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.85
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67013162
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
4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11180556
3-(4-chlorophenyl)-2-[[4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 58999898
N-[1-(4-bromophenyl)ethyl]-4-chloro-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzamide
CID 91059829
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(1S,2R)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-iodobenzamide
CID 11549073
N-[2-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 69435405
N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide
CID 112844431
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (CID 11192016) is 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.
What is the SMILES notation for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The canonical SMILES for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is CC(NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The InChIKey is PRTGCYAYGMDQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN4O3S/c1-14(15-5-8-17(25)9-6-15)28-23(30)18-10-7-16(24)13-20(18)29-33(31,32)21-4-2-3-19-22(21)27-12-11-26-19/h2-14,29H,1H3,(H,28,30).
What are the key properties of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide has a molecular weight of 545.85 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 11192016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).