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

C23H23N5O3S — CID 122310809

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C23H23N5O3S/c1-15-16(2)26-28(17(15)3)22-14-23(25-18(4)24-22)31-20-12-10-19(11-13-20)27-32(29,30)21-8-6-5-7-9-21/h5-14,27H,1-4H3
InChIKeyGYTLVDGCXNFONA-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.49
Rot. Bonds6

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

N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122310809) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
PubChem CID122310809
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C23H23N5O3S/c1-15-16(2)26-28(17(15)3)22-14-23(25-18(4)24-22)31-20-12-10-19(11-13-20)27-32(29,30)21-8-6-5-7-9-21/h5-14,27H,1-4H3
InChIKeyGYTLVDGCXNFONA-UHFFFAOYSA-N
XLogP4.49
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide (CID 122310809) is N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide is Cc1nc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is GYTLVDGCXNFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-16(2)26-28(17(15)3)22-14-23(25-18(4)24-22)31-20-12-10-19(11-13-20)27-32(29,30)21-8-6-5-7-9-21/h5-14,27H,1-4H3.
What are the key properties of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide?
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 449.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122310809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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