1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

C17H20BrClN2O4S — CID 31109501

IUPAC1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CCOc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C17H20BrClN2O4S/c1-3-21(4-2)26(23,24)14-6-8-17(22)20(12-14)9-10-25-16-7-5-13(19)11-15(16)18/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyVJSUUYKMSQNGFC-UHFFFAOYSA-N
MW463.78 g/mol
LogP3.37
Rot. Bonds8

About 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 31109501) has the molecular formula C17H20BrClN2O4S and a molecular weight of 463.78 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID31109501
Molecular FormulaC17H20BrClN2O4S
Molecular Weight463.78 g/mol
Exact Mass462.00
IUPAC Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CCOc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C17H20BrClN2O4S/c1-3-21(4-2)26(23,24)14-6-8-17(22)20(12-14)9-10-25-16-7-5-13(19)11-15(16)18/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyVJSUUYKMSQNGFC-UHFFFAOYSA-N
XLogP3.37
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282
1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 26963059
N-(4-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552949
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
CID 973313
1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 46511196
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 9401741
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
CID 60685923
2-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683883
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 31109501) is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CCOc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is VJSUUYKMSQNGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2O4S/c1-3-21(4-2)26(23,24)14-6-8-17(22)20(12-14)9-10-25-16-7-5-13(19)11-15(16)18/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 463.78 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 31109501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).