4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole

C23H17ClN2O2S — CID 132942065

IUPAC4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole
SMILESO=S(=O)(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-20-11-13-22(14-12-20)29(27,28)16-15-19-17-26(21-9-5-2-6-10-21)25-23(19)18-7-3-1-4-8-18/h1-17H/b16-15+
InChIKeyIXUKFCKWEBFJLF-FOCLMDBBSA-N
MW420.92 g/mol
LogP5.64
Rot. Bonds5

About 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole

4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole (PubChem CID 132942065) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole
PubChem CID132942065
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC Name4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole
SMILESO=S(=O)(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-20-11-13-22(14-12-20)29(27,28)16-15-19-17-26(21-9-5-2-6-10-21)25-23(19)18-7-3-1-4-8-18/h1-17H/b16-15+
InChIKeyIXUKFCKWEBFJLF-FOCLMDBBSA-N
XLogP5.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole with MolForge

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Related Compounds

3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
CID 169460172
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methylprop-2-enamide
CID 2120722
4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
CID 169478562
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
(Z)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 2299076
1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 2901779
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-fluoro-5-methylsulfonylphenyl)prop-2-enamide
CID 31929654
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9227007
4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one
CID 1356286
(4E)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one
CID 6344037
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 2318060

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole (CID 132942065) is 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole is O=S(=O)(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole?
The InChIKey is IXUKFCKWEBFJLF-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c24-20-11-13-22(14-12-20)29(27,28)16-15-19-17-26(21-9-5-2-6-10-21)25-23(19)18-7-3-1-4-8-18/h1-17H/b16-15+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole?
4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole has a molecular weight of 420.92 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole is sourced from PubChem (CID 132942065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).