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

C24H24N4O2S — CID 166490576

IUPAC3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C(C)C)c1
InChIInChI=1S/C24H24N4O2S/c1-15(2)22-14-19(23-16(3)27-28-24(23)17-9-11-26-12-10-17)7-8-21(22)18-5-4-6-20(13-18)31(25,29)30/h4-15H,1-3H3,(H,27,28)(H2,25,29,30)
InChIKeyPFMLEOTUGGRUNG-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.88
Rot. Bonds5

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

3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide (PubChem CID 166490576) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
PubChem CID166490576
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C(C)C)c1
InChIInChI=1S/C24H24N4O2S/c1-15(2)22-14-19(23-16(3)27-28-24(23)17-9-11-26-12-10-17)7-8-21(22)18-5-4-6-20(13-18)31(25,29)30/h4-15H,1-3H3,(H,27,28)(H2,25,29,30)
InChIKeyPFMLEOTUGGRUNG-UHFFFAOYSA-N
XLogP4.88
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide?
The IUPAC name of 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide (CID 166490576) is 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide?
The canonical SMILES for 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide is Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C(C)C)c1.
What is the InChIKey of 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide?
The InChIKey is PFMLEOTUGGRUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15(2)22-14-19(23-16(3)27-28-24(23)17-9-11-26-12-10-17)7-8-21(22)18-5-4-6-20(13-18)31(25,29)30/h4-15H,1-3H3,(H,27,28)(H2,25,29,30).
What are the key properties of 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide?
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 166490576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).