N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide

C24H19N5O3S — CID 122310258

IUPACN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C24H19N5O3S/c1-17-26-23(29-15-5-14-25-29)16-24(27-17)32-20-12-10-19(11-13-20)28-33(30,31)22-9-4-7-18-6-2-3-8-21(18)22/h2-16,28H,1H3
InChIKeyMLHMQGFOORNZPX-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.72
Rot. Bonds6

About N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide

N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide (PubChem CID 122310258) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide
PubChem CID122310258
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C24H19N5O3S/c1-17-26-23(29-15-5-14-25-29)16-24(27-17)32-20-12-10-19(11-13-20)28-33(30,31)22-9-4-7-18-6-2-3-8-21(18)22/h2-16,28H,1H3
InChIKeyMLHMQGFOORNZPX-UHFFFAOYSA-N
XLogP4.72
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310081
2,5-dimethoxy-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310077
3,5-difluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310247
1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide
CID 122310282
4-acetyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310235
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122291729
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
2-chloro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312728
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide
CID 122314037
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide
CID 122304757
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide (CID 122310258) is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide is Cc1nc(Oc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)cc(-n2cccn2)n1.
What is the InChIKey of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide?
The InChIKey is MLHMQGFOORNZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-17-26-23(29-15-5-14-25-29)16-24(27-17)32-20-12-10-19(11-13-20)28-33(30,31)22-9-4-7-18-6-2-3-8-21(18)22/h2-16,28H,1H3.
What are the key properties of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide?
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide has a molecular weight of 457.52 g/mol, XLogP of 4.72, 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-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122310258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).