N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide

C22H21FN6O3S — CID 122292602

IUPACN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C22H21FN6O3S/c1-14-12-15(2)29(27-14)22-11-10-21(25-26-22)24-17-5-7-18(8-6-17)28-33(30,31)20-13-16(23)4-9-19(20)32-3/h4-13,28H,1-3H3,(H,24,25)
InChIKeyBBJONDSFWIAHMQ-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.97
Rot. Bonds7

About N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide

N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 122292602) has the molecular formula C22H21FN6O3S and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID122292602
Molecular FormulaC22H21FN6O3S
Molecular Weight468.51 g/mol
Exact Mass468.14
IUPAC NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C22H21FN6O3S/c1-14-12-15(2)29(27-14)22-11-10-21(25-26-22)24-17-5-7-18(8-6-17)28-33(30,31)20-13-16(23)4-9-19(20)32-3/h4-13,28H,1-3H3,(H,24,25)
InChIKeyBBJONDSFWIAHMQ-UHFFFAOYSA-N
XLogP3.97
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide
CID 122292633
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,5-dimethoxybenzenesulfonamide
CID 122305495
5-fluoro-2-methoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297180
5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305268
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 56699508
5-fluoro-2-methoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122316490
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122292449
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide
CID 122292415

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide (CID 122292602) is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1.
What is the InChIKey of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is BBJONDSFWIAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O3S/c1-14-12-15(2)29(27-14)22-11-10-21(25-26-22)24-17-5-7-18(8-6-17)28-33(30,31)20-13-16(23)4-9-19(20)32-3/h4-13,28H,1-3H3,(H,24,25).
What are the key properties of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide?
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 468.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 122292602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).