5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole

C17H11F4N3O2S2 — CID 141171244

IUPAC5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole
SMILESCn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(F)ccc43)s2)cc1C(F)(F)F
InChIInChI=1S/C17H11F4N3O2S2/c1-23-15(17(19,20)21)9-12(22-23)14-4-5-16(27-14)28(25,26)24-7-6-10-8-11(18)2-3-13(10)24/h2-9H,1H3
InChIKeyIFIAMAJJILRACY-UHFFFAOYSA-N
MW429.42 g/mol
LogP4.50
Rot. Bonds3

About 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole

5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole (PubChem CID 141171244) has the molecular formula C17H11F4N3O2S2 and a molecular weight of 429.42 g/mol. Its IUPAC name is 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole.

Molecular Properties

Compound Name5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole
PubChem CID141171244
Molecular FormulaC17H11F4N3O2S2
Molecular Weight429.42 g/mol
Exact Mass429.02
IUPAC Name5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole
SMILESCn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(F)ccc43)s2)cc1C(F)(F)F
InChIInChI=1S/C17H11F4N3O2S2/c1-23-15(17(19,20)21)9-12(22-23)14-4-5-16(27-14)28(25,26)24-7-6-10-8-11(18)2-3-13(10)24/h2-9H,1H3
InChIKeyIFIAMAJJILRACY-UHFFFAOYSA-N
XLogP4.50
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
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
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 2820356
N-(1H-indazol-6-yl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 172434982
4-Methanesulfonyl-1-methyl-1h-pyrazolo[1,5-a]indole
CID 11776779
US20250101019, Example 18
CID 172398848
2-[(Z)-1-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10391579
N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 23589893
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole
CID 24743525
1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 24743528
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743559

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole?
The IUPAC name of 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole (CID 141171244) is 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole.
What is the SMILES notation for 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole?
The canonical SMILES for 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole is Cn1nc(-c2ccc(S(=O)(=O)n3ccc4cc(F)ccc43)s2)cc1C(F)(F)F.
What is the InChIKey of 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole?
The InChIKey is IFIAMAJJILRACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2S2/c1-23-15(17(19,20)21)9-12(22-23)14-4-5-16(27-14)28(25,26)24-7-6-10-8-11(18)2-3-13(10)24/h2-9H,1H3.
What are the key properties of 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole?
5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole has a molecular weight of 429.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole is sourced from PubChem (CID 141171244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).