N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide

C23H19N3O3S — CID 25102663

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c1-30(28,29)20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
InChIKeyIXTDTQBWPFEXMM-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.20
Rot. Bonds5

About N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide

N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide (PubChem CID 25102663) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide
PubChem CID25102663
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c1-30(28,29)20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
InChIKeyIXTDTQBWPFEXMM-UHFFFAOYSA-N
XLogP4.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide (CID 25102663) is N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide?
The InChIKey is IXTDTQBWPFEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-30(28,29)20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide?
N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 25102663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).