2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

C22H21N5O3S — CID 122305103

IUPAC2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)c1
InChIInChI=1S/C22H21N5O3S/c1-15-4-5-16(2)20(14-15)31(28,29)26-18-6-8-19(9-7-18)30-22-11-10-21(23-24-22)27-13-12-17(3)25-27/h4-14,26H,1-3H3
InChIKeySAFDKDPHVBOFTD-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.18
Rot. Bonds6

About 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122305103) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
PubChem CID122305103
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)c1
InChIInChI=1S/C22H21N5O3S/c1-15-4-5-16(2)20(14-15)31(28,29)26-18-6-8-19(9-7-18)30-22-11-10-21(23-24-22)27-13-12-17(3)25-27/h4-14,26H,1-3H3
InChIKeySAFDKDPHVBOFTD-UHFFFAOYSA-N
XLogP4.18
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802127
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093
5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305268
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305101
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802125
3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122305304
2,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306609
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305306
3,4-dimethyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307745
4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305003

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (CID 122305103) is 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is SAFDKDPHVBOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15-4-5-16(2)20(14-15)31(28,29)26-18-6-8-19(9-7-18)30-22-11-10-21(23-24-22)27-13-12-17(3)25-27/h4-14,26H,1-3H3.
What are the key properties of 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122305103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).