N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide

C17H10BrClF2N2O4S — CID 167890688

IUPACN-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NS(=O)(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C17H10BrClF2N2O4S/c18-9-6-12(20)17(13(21)7-9)28(25,26)23-15(24)8-27-14-4-3-11(19)10-2-1-5-22-16(10)14/h1-7H,8H2,(H,23,24)
InChIKeyJRMFXAVTBOUCCZ-UHFFFAOYSA-N
MW491.70 g/mol
LogP3.81
Rot. Bonds5

About N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide

N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide (PubChem CID 167890688) has the molecular formula C17H10BrClF2N2O4S and a molecular weight of 491.70 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide
PubChem CID167890688
Molecular FormulaC17H10BrClF2N2O4S
Molecular Weight491.70 g/mol
Exact Mass489.92
IUPAC NameN-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NS(=O)(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C17H10BrClF2N2O4S/c18-9-6-12(20)17(13(21)7-9)28(25,26)23-15(24)8-27-14-4-3-11(19)10-2-1-5-22-16(10)14/h1-7H,8H2,(H,23,24)
InChIKeyJRMFXAVTBOUCCZ-UHFFFAOYSA-N
XLogP3.81
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.70
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716254
N-(3-chloro-4-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716349
4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 78858732
2-(5-chloroquinolin-8-yl)oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 8716409
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N-(2-chloro-4,6-dimethylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716287
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8716441
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-chloroquinolin-8-yl)oxy-N-(3,5-dimethoxyphenyl)acetamide
CID 8005978
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide (CID 167890688) is N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide is O=C(COc1ccc(Cl)c2cccnc12)NS(=O)(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide?
The InChIKey is JRMFXAVTBOUCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClF2N2O4S/c18-9-6-12(20)17(13(21)7-9)28(25,26)23-15(24)8-27-14-4-3-11(19)10-2-1-5-22-16(10)14/h1-7H,8H2,(H,23,24).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide?
N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide has a molecular weight of 491.70 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 167890688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).