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

C24H25N5O3S — CID 122311196

IUPAC2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3cc(-n4nc(C)c(C)c4C)ncn3)cc2)c1
InChIInChI=1S/C24H25N5O3S/c1-15-6-7-16(2)22(12-15)33(30,31)28-20-8-10-21(11-9-20)32-24-13-23(25-14-26-24)29-19(5)17(3)18(4)27-29/h6-14,28H,1-5H3
InChIKeyLOPAHGZUJXFPPF-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.80
Rot. Bonds6

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

2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122311196) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
PubChem CID122311196
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3cc(-n4nc(C)c(C)c4C)ncn3)cc2)c1
InChIInChI=1S/C24H25N5O3S/c1-15-6-7-16(2)22(12-15)33(30,31)28-20-8-10-21(11-9-20)32-24-13-23(25-14-26-24)29-19(5)17(3)18(4)27-29/h6-14,28H,1-5H3
InChIKeyLOPAHGZUJXFPPF-UHFFFAOYSA-N
XLogP4.80
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methyl-4-[[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122311402
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
CID 122311212
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122311420
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide
CID 122311390
5-chloro-2-methyl-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122310988
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]butane-1-sulfonamide
CID 122311222
3-nitro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311453
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122311312
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide
CID 122314037
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,4,6-trimethylbenzenesulfonamide
CID 122311580

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide (CID 122311196) is 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3cc(-n4nc(C)c(C)c4C)ncn3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is LOPAHGZUJXFPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-15-6-7-16(2)22(12-15)33(30,31)28-20-8-10-21(11-9-20)32-24-13-23(25-14-26-24)29-19(5)17(3)18(4)27-29/h6-14,28H,1-5H3.
What are the key properties of 2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 4.80, 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-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122311196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).