5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole

C28H21ClN2O2S — CID 15359150

IUPAC5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H21ClN2O2S/c1-20-12-18-25(19-13-20)34(32,33)28-26(21-8-4-2-5-9-21)30-31(24-10-6-3-7-11-24)27(28)22-14-16-23(29)17-15-22/h2-19H,1H3
InChIKeyVLYVCFTXLOPLMS-UHFFFAOYSA-N
MW485.01 g/mol
LogP7.00
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole

5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole (PubChem CID 15359150) has the molecular formula C28H21ClN2O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
PubChem CID15359150
Molecular FormulaC28H21ClN2O2S
Molecular Weight485.01 g/mol
Exact Mass484.10
IUPAC Name5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H21ClN2O2S/c1-20-12-18-25(19-13-20)34(32,33)28-26(21-8-4-2-5-9-21)30-31(24-10-6-3-7-11-24)27(28)22-14-16-23(29)17-15-22/h2-19H,1H3
InChIKeyVLYVCFTXLOPLMS-UHFFFAOYSA-N
XLogP7.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)sulfonyl-1,3,5-triphenylpyrazole
CID 15359160
1-benzyl-4-(4-methylphenyl)sulfonyl-3,5-diphenylpyrazole
CID 102099566
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 54227856
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole
CID 146162070
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716
4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole
CID 146162067
1-[3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-yl]ethanone
CID 54443701
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole (CID 15359150) is 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole is Cc1ccc(S(=O)(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole?
The InChIKey is VLYVCFTXLOPLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O2S/c1-20-12-18-25(19-13-20)34(32,33)28-26(21-8-4-2-5-9-21)30-31(24-10-6-3-7-11-24)27(28)22-14-16-23(29)17-15-22/h2-19H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole?
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole has a molecular weight of 485.01 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole is sourced from PubChem (CID 15359150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).