3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

C22H20N4O3S — CID 166490583

IUPAC3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C22H20N4O3S/c1-14-21(22(26-25-14)15-8-10-24-11-9-15)17-6-7-19(20(13-17)29-2)16-4-3-5-18(12-16)30(23,27)28/h3-13H,1-2H3,(H,25,26)(H2,23,27,28)
InChIKeyNMMSZCZSOKUHOX-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.77
Rot. Bonds5

About 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490583) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490583
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C22H20N4O3S/c1-14-21(22(26-25-14)15-8-10-24-11-9-15)17-6-7-19(20(13-17)29-2)16-4-3-5-18(12-16)30(23,27)28/h3-13H,1-2H3,(H,25,26)(H2,23,27,28)
InChIKeyNMMSZCZSOKUHOX-UHFFFAOYSA-N
XLogP3.77
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11558948
3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675574
N-[(2S)-1-isoquinolin-5-yloxypropan-2-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 57651527
3-[4-[3-(2-methoxy-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490633
3-[4-[5-(2-methoxy-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490667
N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 53318167
3-[5-ethoxy-6-[1-(2-methylpropyl)pyrazol-4-yl]-1H-indazol-3-yl]benzenesulfonamide
CID 71682300
N'-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide
CID 5342483
4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine
CID 118726577
3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine
CID 155555045
US11365192, Example 57-1
CID 142526520
US11365192, Example 23-1
CID 146658394

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490583) is 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is COc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is NMMSZCZSOKUHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-21(22(26-25-14)15-8-10-24-11-9-15)17-6-7-19(20(13-17)29-2)16-4-3-5-18(12-16)30(23,27)28/h3-13H,1-2H3,(H,25,26)(H2,23,27,28).
What are the key properties of 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).