1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole

C21H14F3N3O2S3 — CID 141171235

IUPAC1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole
SMILESCn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(-c5ccsc5)ccc43)s2)cc1C(F)(F)F
InChIInChI=1S/C21H14F3N3O2S3/c1-26-19(21(22,23)24)11-16(25-26)18-4-5-20(31-18)32(28,29)27-8-6-14-10-13(2-3-17(14)27)15-7-9-30-12-15/h2-12H,1H3
InChIKeyHLNNVSQGVIYXDJ-UHFFFAOYSA-N
MW493.56 g/mol
LogP6.09
Rot. Bonds4

About 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole

1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole (PubChem CID 141171235) has the molecular formula C21H14F3N3O2S3 and a molecular weight of 493.56 g/mol. Its IUPAC name is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole.

Molecular Properties

Compound Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole
PubChem CID141171235
Molecular FormulaC21H14F3N3O2S3
Molecular Weight493.56 g/mol
Exact Mass493.02
IUPAC Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole
SMILESCn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(-c5ccsc5)ccc43)s2)cc1C(F)(F)F
InChIInChI=1S/C21H14F3N3O2S3/c1-26-19(21(22,23)24)11-16(25-26)18-4-5-20(31-18)32(28,29)27-8-6-14-10-13(2-3-17(14)27)15-7-9-30-12-15/h2-12H,1H3
InChIKeyHLNNVSQGVIYXDJ-UHFFFAOYSA-N
XLogP6.09
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 44534362
3-[1-[2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidin-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 44534364
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 46832515
US11787780, Example 189
CID 166917298
3-[1-[[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]-1H-indole
CID 44534367
N-(1H-indazol-6-yl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 172434982
N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969322
2-[(Z)-1-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10391579
4-[4-(1-Ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085978
4-(5-methylsulfonyl 2-thienyl)-6-(3-trifluoromethyl-1-trityl-1H-4-pyrazolyl)qui noline
CID 22031472
6-[3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolyl]-4-(5-methylsulfonyl 2-thienyl)quinoline
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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole?
The IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole (CID 141171235) is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole.
What is the SMILES notation for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole?
The canonical SMILES for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole is Cn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(-c5ccsc5)ccc43)s2)cc1C(F)(F)F.
What is the InChIKey of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole?
The InChIKey is HLNNVSQGVIYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2S3/c1-26-19(21(22,23)24)11-16(25-26)18-4-5-20(31-18)32(28,29)27-8-6-14-10-13(2-3-17(14)27)15-7-9-30-12-15/h2-12H,1H3.
What are the key properties of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole?
1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole has a molecular weight of 493.56 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole is sourced from PubChem (CID 141171235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).