N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide

C24H21N7O3S — CID 122311802

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4ccc(-n5cccn5)cc4)cc3)ncn2)n1
InChIInChI=1S/C24H21N7O3S/c1-17-14-18(2)31(28-17)23-15-24(26-16-25-23)34-21-8-4-19(5-9-21)29-35(32,33)22-10-6-20(7-11-22)30-13-3-12-27-30/h3-16,29H,1-2H3
InChIKeyFRYAKUFIQDHATR-UHFFFAOYSA-N
MW487.55 g/mol
LogP4.06
Rot. Bonds7

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122311802) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122311802
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4ccc(-n5cccn5)cc4)cc3)ncn2)n1
InChIInChI=1S/C24H21N7O3S/c1-17-14-18(2)31(28-17)23-15-24(26-16-25-23)34-21-8-4-19(5-9-21)29-35(32,33)22-10-6-20(7-11-22)30-13-3-12-27-30/h3-16,29H,1-2H3
InChIKeyFRYAKUFIQDHATR-UHFFFAOYSA-N
XLogP4.06
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,4,6-trimethylbenzenesulfonamide
CID 122311580
3-chloro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309917
3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122289795
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122311787
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122311793
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxybenzenesulfonamide
CID 122310436
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122307221
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122311784

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 122311802) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide is Cc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4ccc(-n5cccn5)cc4)cc3)ncn2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is FRYAKUFIQDHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c1-17-14-18(2)31(28-17)23-15-24(26-16-25-23)34-21-8-4-19(5-9-21)29-35(32,33)22-10-6-20(7-11-22)30-13-3-12-27-30/h3-16,29H,1-2H3.
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 487.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122311802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).