5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide

C17H14BrN3O4S — CID 18567813

IUPAC5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1
InChIInChI=1S/C17H14BrN3O4S/c1-2-26(23,24)16-9-6-13(20-21-16)11-4-3-5-12(10-11)19-17(22)14-7-8-15(18)25-14/h3-10H,2H2,1H3,(H,19,22)
InChIKeyKQDRHIRVZUQUFL-UHFFFAOYSA-N
MW436.29 g/mol
LogP3.55
Rot. Bonds5

About 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide

5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide (PubChem CID 18567813) has the molecular formula C17H14BrN3O4S and a molecular weight of 436.29 g/mol. Its IUPAC name is 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
PubChem CID18567813
Molecular FormulaC17H14BrN3O4S
Molecular Weight436.29 g/mol
Exact Mass434.99
IUPAC Name5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1
InChIInChI=1S/C17H14BrN3O4S/c1-2-26(23,24)16-9-6-13(20-21-16)11-4-3-5-12(10-11)19-17(22)14-7-8-15(18)25-14/h3-10H,2H2,1H3,(H,19,22)
InChIKeyKQDRHIRVZUQUFL-UHFFFAOYSA-N
XLogP3.55
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 41213037
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319990
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide (CID 18567813) is 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide is CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1.
What is the InChIKey of 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is KQDRHIRVZUQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O4S/c1-2-26(23,24)16-9-6-13(20-21-16)11-4-3-5-12(10-11)19-17(22)14-7-8-15(18)25-14/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 436.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18567813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).