3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole

C21H20N2O2S2 — CID 2916362

IUPAC3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O2S2/c1-15-5-9-17(10-6-15)20-14-19(21-4-3-13-26-21)22-23(20)27(24,25)18-11-7-16(2)8-12-18/h3-13,20H,14H2,1-2H3
InChIKeyKPFUWROQPLANME-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.90
Rot. Bonds4

About 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole

3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2916362) has the molecular formula C21H20N2O2S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2916362
Molecular FormulaC21H20N2O2S2
Molecular Weight396.54 g/mol
Exact Mass396.10
IUPAC Name3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O2S2/c1-15-5-9-17(10-6-15)20-14-19(21-4-3-13-26-21)22-23(20)27(24,25)18-11-7-16(2)8-12-18/h3-13,20H,14H2,1-2H3
InChIKeyKPFUWROQPLANME-UHFFFAOYSA-N
XLogP4.90
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2916362) is 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is Cc1ccc(C2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is KPFUWROQPLANME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S2/c1-15-5-9-17(10-6-15)20-14-19(21-4-3-13-26-21)22-23(20)27(24,25)18-11-7-16(2)8-12-18/h3-13,20H,14H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 396.54 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2916362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).