4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole

C22H16ClFN2O2S2 — CID 44595249

IUPAC4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2c(Sc3ccc(Cl)cc3)cnn2-c2ccccc2F)cc1
InChIInChI=1S/C22H16ClFN2O2S2/c1-30(27,28)18-12-6-15(7-13-18)22-21(29-17-10-8-16(23)9-11-17)14-25-26(22)20-5-3-2-4-19(20)24/h2-14H,1H3
InChIKeyUFCBJZORVPKUCG-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.89
Rot. Bonds5

About 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole

4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole (PubChem CID 44595249) has the molecular formula C22H16ClFN2O2S2 and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
PubChem CID44595249
Molecular FormulaC22H16ClFN2O2S2
Molecular Weight458.97 g/mol
Exact Mass458.03
IUPAC Name4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2c(Sc3ccc(Cl)cc3)cnn2-c2ccccc2F)cc1
InChIInChI=1S/C22H16ClFN2O2S2/c1-30(27,28)18-12-6-15(7-13-18)22-21(29-17-10-8-16(23)9-11-17)14-25-26(22)20-5-3-2-4-19(20)24/h2-14H,1H3
InChIKeyUFCBJZORVPKUCG-UHFFFAOYSA-N
XLogP5.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole
CID 44595106
2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
CID 67663311
1-[5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylpyrazol-1-yl]ethanone
CID 2745127
3-(difluoromethyl)-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 67736071
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 175832347
5-(4-chlorophenyl)sulfanyl-4-(4-methylsulfonylphenyl)-2-pyridin-2-yl-1,3-oxazole
CID 44815807
2-(4-methylsulfonylphenyl)sulfanylbenzaldehyde
CID 63803584
2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 79517932
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22202175
2-[5-[4-[4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)pyrazol-3-yl]phenyl]pyrazin-2-yl]propan-2-ol
CID 44593963
1-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112824216
2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451001

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole (CID 44595249) is 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole is CS(=O)(=O)c1ccc(-c2c(Sc3ccc(Cl)cc3)cnn2-c2ccccc2F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is UFCBJZORVPKUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)18-12-6-15(7-13-18)22-21(29-17-10-8-16(23)9-11-17)14-25-26(22)20-5-3-2-4-19(20)24/h2-14H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole?
4-(4-chlorophenyl)sulfanyl-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 458.97 g/mol, XLogP of 5.89, 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-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 44595249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).