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

C22H20N4O2S — CID 166490617

IUPAC3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2cccc(S(N)(=O)=O)c2)ccc1-c1c(-c2ccncc2)n[nH]c1C
InChIInChI=1S/C22H20N4O2S/c1-14-12-18(17-4-3-5-19(13-17)29(23,27)28)6-7-20(14)21-15(2)25-26-22(21)16-8-10-24-11-9-16/h3-13H,1-2H3,(H,25,26)(H2,23,27,28)
InChIKeyDWSADSSMZPDBSA-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.07
Rot. Bonds4

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

3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490617) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490617
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2cccc(S(N)(=O)=O)c2)ccc1-c1c(-c2ccncc2)n[nH]c1C
InChIInChI=1S/C22H20N4O2S/c1-14-12-18(17-4-3-5-19(13-17)29(23,27)28)6-7-20(14)21-15(2)25-26-22(21)16-8-10-24-11-9-16/h3-13H,1-2H3,(H,25,26)(H2,23,27,28)
InChIKeyDWSADSSMZPDBSA-UHFFFAOYSA-N
XLogP4.07
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864527
4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-sulfonic acid amide
CID 118660675
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424832
2,3-dimethyl-4-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490564
2,3-dimethyl-4-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490568
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
4-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-2,3-dimethylbenzenesulfonamide
CID 166490572
3-[4-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490574
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
CID 166490576
3-[4-[5-(2,6-dimethyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490584
4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490599
3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490601

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490617) is 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is Cc1cc(-c2cccc(S(N)(=O)=O)c2)ccc1-c1c(-c2ccncc2)n[nH]c1C.
What is the InChIKey of 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is DWSADSSMZPDBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-12-18(17-4-3-5-19(13-17)29(23,27)28)6-7-20(14)21-15(2)25-26-22(21)16-8-10-24-11-9-16/h3-13H,1-2H3,(H,25,26)(H2,23,27,28).
What are the key properties of 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).