N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide

C24H24N4O2S — CID 51352613

IUPACN-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-16-31(29,30)26-17-19-8-10-20(11-9-19)23-18-28(22-6-4-3-5-7-22)27-24(23)21-12-14-25-15-13-21/h3-15,18,26H,2,16-17H2,1H3
InChIKeyQVVNXJZFNPKUSW-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.43
Rot. Bonds8

About N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide

N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide (PubChem CID 51352613) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide
PubChem CID51352613
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-16-31(29,30)26-17-19-8-10-20(11-9-19)23-18-28(22-6-4-3-5-7-22)27-24(23)21-12-14-25-15-13-21/h3-15,18,26H,2,16-17H2,1H3
InChIKeyQVVNXJZFNPKUSW-UHFFFAOYSA-N
XLogP4.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide (CID 51352613) is N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide?
The InChIKey is QVVNXJZFNPKUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-16-31(29,30)26-17-19-8-10-20(11-9-19)23-18-28(22-6-4-3-5-7-22)27-24(23)21-12-14-25-15-13-21/h3-15,18,26H,2,16-17H2,1H3.
What are the key properties of N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide?
N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 51352613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).