N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C19H17BrN4O4S2 — CID 172991960

IUPACN-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Br)nn2)cc1
InChIInChI=1S/C19H17BrN4O4S2/c1-28-13-4-2-12(3-5-13)16-8-9-19(24-23-16)29-11-18(25)22-17-7-6-14(10-15(17)20)30(21,26)27/h2-10H,11H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyRDFQZHNUVFWORK-UHFFFAOYSA-N
MW509.41 g/mol
LogP3.29
Rot. Bonds7

About N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 172991960) has the molecular formula C19H17BrN4O4S2 and a molecular weight of 509.41 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID172991960
Molecular FormulaC19H17BrN4O4S2
Molecular Weight509.41 g/mol
Exact Mass507.99
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Br)nn2)cc1
InChIInChI=1S/C19H17BrN4O4S2/c1-28-13-4-2-12(3-5-13)16-8-9-19(24-23-16)29-11-18(25)22-17-7-6-14(10-15(17)20)30(21,26)27/h2-10H,11H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyRDFQZHNUVFWORK-UHFFFAOYSA-N
XLogP3.29
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43817501
N-(furan-2-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936655
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916712
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936641
N-(2,4-difluorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 18562224
N-(2-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502862
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 172991960) is N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Br)nn2)cc1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is RDFQZHNUVFWORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O4S2/c1-28-13-4-2-12(3-5-13)16-8-9-19(24-23-16)29-11-18(25)22-17-7-6-14(10-15(17)20)30(21,26)27/h2-10H,11H2,1H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 509.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 172991960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).