3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

C23H20F3N5O3S — CID 122305886

IUPAC3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(Oc3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)nn2)c(C)c1C
InChIInChI=1S/C23H20F3N5O3S/c1-14-15(2)29-31(16(14)3)21-11-12-22(28-27-21)34-19-9-7-18(8-10-19)30-35(32,33)20-6-4-5-17(13-20)23(24,25)26/h4-13,30H,1-3H3
InChIKeyCJBAFLSQNDLBBR-UHFFFAOYSA-N
MW503.51 g/mol
LogP5.20
Rot. Bonds6

About 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122305886) has the molecular formula C23H20F3N5O3S and a molecular weight of 503.51 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
PubChem CID122305886
Molecular FormulaC23H20F3N5O3S
Molecular Weight503.51 g/mol
Exact Mass503.12
IUPAC Name3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(Oc3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)nn2)c(C)c1C
InChIInChI=1S/C23H20F3N5O3S/c1-14-15(2)29-31(16(14)3)21-11-12-22(28-27-21)34-19-9-7-18(8-10-19)30-35(32,33)20-6-4-5-17(13-20)23(24,25)26/h4-13,30H,1-3H3
InChIKeyCJBAFLSQNDLBBR-UHFFFAOYSA-N
XLogP5.20
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122307777
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122305881
4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305882
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122310809
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122310847
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305742
3,4-difluoro-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311005
3-nitro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311453
N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide
CID 122305668
3-chloro-4-fluoro-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122310987
3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292389

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (CID 122305886) is 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is Cc1nn(-c2ccc(Oc3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)nn2)c(C)c1C.
What is the InChIKey of 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is CJBAFLSQNDLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3S/c1-14-15(2)29-31(16(14)3)21-11-12-22(28-27-21)34-19-9-7-18(8-10-19)30-35(32,33)20-6-4-5-17(13-20)23(24,25)26/h4-13,30H,1-3H3.
What are the key properties of 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 503.51 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122305886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).