N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C20H18F3N3O4S — CID 41349150

IUPACN-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)nn1
InChIInChI=1S/C20H18F3N3O4S/c1-2-13-29-19-12-11-18(24-25-19)14-3-5-15(6-4-14)26-31(27,28)17-9-7-16(8-10-17)30-20(21,22)23/h3-12,26H,2,13H2,1H3
InChIKeyXFAPSLVVVDYEDQ-UHFFFAOYSA-N
MW453.44 g/mol
LogP4.63
Rot. Bonds8

About N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 41349150) has the molecular formula C20H18F3N3O4S and a molecular weight of 453.44 g/mol. Its IUPAC name is N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID41349150
Molecular FormulaC20H18F3N3O4S
Molecular Weight453.44 g/mol
Exact Mass453.10
IUPAC NameN-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)nn1
InChIInChI=1S/C20H18F3N3O4S/c1-2-13-29-19-12-11-18(24-25-19)14-3-5-15(6-4-14)26-31(27,28)17-9-7-16(8-10-17)30-20(21,22)23/h3-12,26H,2,13H2,1H3
InChIKeyXFAPSLVVVDYEDQ-UHFFFAOYSA-N
XLogP4.63
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
3-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7524051
2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295054
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 29043584
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 29043611
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
2-methyl-5-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295090
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41247052

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 41349150) is N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is CCCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)nn1.
What is the InChIKey of N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XFAPSLVVVDYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S/c1-2-13-29-19-12-11-18(24-25-19)14-3-5-15(6-4-14)26-31(27,28)17-9-7-16(8-10-17)30-20(21,22)23/h3-12,26H,2,13H2,1H3.
What are the key properties of N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 453.44 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 41349150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).