3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole

C16H16N2O2S3 — CID 1080826

IUPAC3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole
SMILESCc1ccc(Sc2c(C)nn(S(=O)(=O)c3cccs3)c2C)cc1
InChIInChI=1S/C16H16N2O2S3/c1-11-6-8-14(9-7-11)22-16-12(2)17-18(13(16)3)23(19,20)15-5-4-10-21-15/h4-10H,1-3H3
InChIKeyGKBGOPYFANLVFQ-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.26
Rot. Bonds4

About 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole

3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole (PubChem CID 1080826) has the molecular formula C16H16N2O2S3 and a molecular weight of 364.52 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole
PubChem CID1080826
Molecular FormulaC16H16N2O2S3
Molecular Weight364.52 g/mol
Exact Mass364.04
IUPAC Name3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole
SMILESCc1ccc(Sc2c(C)nn(S(=O)(=O)c3cccs3)c2C)cc1
InChIInChI=1S/C16H16N2O2S3/c1-11-6-8-14(9-7-11)22-16-12(2)17-18(13(16)3)23(19,20)15-5-4-10-21-15/h4-10H,1-3H3
InChIKeyGKBGOPYFANLVFQ-UHFFFAOYSA-N
XLogP4.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
3,5-dimethyl-4-(phenylthio)-1-(thiophen-2-ylsulfonyl)-1H-pyrazole
CID 1327702
1-((4-fluorophenyl)sulfonyl)-3,5-dimethyl-4-(p-tolylthio)-1H-pyrazole
CID 1536491
3,4,5-trimethyl-1-tosyl-1H-pyrazole
CID 6464030
3,5-dimethyl-4-(phenylthio)-1-((2,4,6-triisopropylphenyl)sulfonyl)-1H-pyrazole
CID 2136470
3,5-Dimethyl-4-phenylsulfanyl-1-(toluene-4-sulfonyl)-1H-pyrazole
CID 984684
3,5-Dimethyl-1,4-bis-(4-methylphenyl)sulfonylpyrazole
CID 102142093
3-Methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-(2-methylpropyl)pyrazole
CID 102142095
4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
CID 132270559
3,5-Diethyl-1,4-bis-(4-methylphenyl)sulfonylpyrazole
CID 135064491
3-Methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole
CID 135065420
3,5-Dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole
CID 156769791

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole (CID 1080826) is 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole is Cc1ccc(Sc2c(C)nn(S(=O)(=O)c3cccs3)c2C)cc1.
What is the InChIKey of 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole?
The InChIKey is GKBGOPYFANLVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S3/c1-11-6-8-14(9-7-11)22-16-12(2)17-18(13(16)3)23(19,20)15-5-4-10-21-15/h4-10H,1-3H3.
What are the key properties of 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole?
3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole has a molecular weight of 364.52 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole is sourced from PubChem (CID 1080826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).