3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole

C11H11F3N2O2S2 — CID 167900899

IUPAC3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1ccsc1S(=O)(=O)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2S2/c1-8-3-5-19-10(8)20(17,18)6-9-2-4-16(15-9)7-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyHALRHDBRRDRXNK-UHFFFAOYSA-N
MW324.35 g/mol
LogP2.79
Rot. Bonds4

About 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole

3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 167900899) has the molecular formula C11H11F3N2O2S2 and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID167900899
Molecular FormulaC11H11F3N2O2S2
Molecular Weight324.35 g/mol
Exact Mass324.02
IUPAC Name3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1ccsc1S(=O)(=O)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2S2/c1-8-3-5-19-10(8)20(17,18)6-9-2-4-16(15-9)7-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyHALRHDBRRDRXNK-UHFFFAOYSA-N
XLogP2.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methyl-N-[(1-methyl-1H-pyrazol-5-YL)methyl]-2-thiophenesulfonamide
CID 19580405
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 71808060
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717936
N-cyclopentyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 121020236
1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole
CID 164632107
4-Methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 91321982
1-(2-Thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole
CID 116621313
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 121588705
N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139499
N-[(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139500
4-[(2-Ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 166266946

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole (CID 167900899) is 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole is Cc1ccsc1S(=O)(=O)Cc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is HALRHDBRRDRXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S2/c1-8-3-5-19-10(8)20(17,18)6-9-2-4-16(15-9)7-11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole?
3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 324.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 167900899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).