N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide

C21H15F3N4O3S — CID 122307777

IUPACN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)15-4-3-5-18(14-15)32(29,30)27-16-6-8-17(9-7-16)31-20-11-10-19(25-26-20)28-12-1-2-13-28/h1-14,27H
InChIKeyBSHWNRYMRZSWNU-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.88
Rot. Bonds6

About N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 122307777) has the molecular formula C21H15F3N4O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID122307777
Molecular FormulaC21H15F3N4O3S
Molecular Weight460.44 g/mol
Exact Mass460.08
IUPAC NameN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)15-4-3-5-18(14-15)32(29,30)27-16-6-8-17(9-7-16)31-20-11-10-19(25-26-20)28-12-1-2-13-28/h1-14,27H
InChIKeyBSHWNRYMRZSWNU-UHFFFAOYSA-N
XLogP4.88
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305886
3,5-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307934
3,4-dimethyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307745
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122308006
4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307759
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide
CID 122307965
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122307950
3-methyl-2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzoxazole-5-sulfonamide
CID 122307951
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744
4-fluoro-2-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307964
2-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307979

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 122307777) is N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BSHWNRYMRZSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c22-21(23,24)15-4-3-5-18(14-15)32(29,30)27-16-6-8-17(9-7-16)31-20-11-10-19(25-26-20)28-12-1-2-13-28/h1-14,27H.
What are the key properties of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122307777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).