4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole

C22H17ClN2O2S2 — CID 44595106

IUPAC4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole
SMILESCS(=O)(=O)c1ccc(-c2c(Sc3ccc(Cl)cc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O2S2/c1-29(26,27)20-13-7-16(8-14-20)22-21(28-19-11-9-17(23)10-12-19)15-24-25(22)18-5-3-2-4-6-18/h2-15H,1H3
InChIKeyWNOZBIHOQOMHQQ-UHFFFAOYSA-N
MW440.98 g/mol
LogP5.75
Rot. Bonds5

About 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole

4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole (PubChem CID 44595106) has the molecular formula C22H17ClN2O2S2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole
PubChem CID44595106
Molecular FormulaC22H17ClN2O2S2
Molecular Weight440.98 g/mol
Exact Mass440.04
IUPAC Name4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole
SMILESCS(=O)(=O)c1ccc(-c2c(Sc3ccc(Cl)cc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O2S2/c1-29(26,27)20-13-7-16(8-14-20)22-21(28-19-11-9-17(23)10-12-19)15-24-25(22)18-5-3-2-4-6-18/h2-15H,1H3
InChIKeyWNOZBIHOQOMHQQ-UHFFFAOYSA-N
XLogP5.75
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.98
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 44595249
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
1-[5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylpyrazol-1-yl]ethanone
CID 2745127
3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 54227856
5-(4-chlorophenyl)sulfanyl-4-(4-methylsulfonylphenyl)-2-pyridin-2-yl-1,3-oxazole
CID 44815807
1-[3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-yl]ethanone
CID 54443701
2-(4-methylsulfonylphenyl)sulfanylbenzaldehyde
CID 63803584
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
CID 19041362
2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
CID 67663311
5-chloro-4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)pyridazin-3-one
CID 1480827
1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)-4-phenyl-3-(trifluoromethyl)pyrazole
CID 19041335

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole (CID 44595106) is 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole is CS(=O)(=O)c1ccc(-c2c(Sc3ccc(Cl)cc3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole?
The InChIKey is WNOZBIHOQOMHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S2/c1-29(26,27)20-13-7-16(8-14-20)22-21(28-19-11-9-17(23)10-12-19)15-24-25(22)18-5-3-2-4-6-18/h2-15H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole?
4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole has a molecular weight of 440.98 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole is sourced from PubChem (CID 44595106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).