2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide

C18H18F3N3O2S2 — CID 46396421

IUPAC2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c(C)c1
InChIInChI=1S/C18H18F3N3O2S2/c1-9-5-10(2)17(11(3)6-9)24-28(25,26)15-8-14(27-12(15)4)13-7-16(23-22-13)18(19,20)21/h5-8,24H,1-4H3,(H,22,23)
InChIKeyBZDFVZIEYRXOCM-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.19
Rot. Bonds4

About 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide

2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide (PubChem CID 46396421) has the molecular formula C18H18F3N3O2S2 and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
PubChem CID46396421
Molecular FormulaC18H18F3N3O2S2
Molecular Weight429.49 g/mol
Exact Mass429.08
IUPAC Name2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c(C)c1
InChIInChI=1S/C18H18F3N3O2S2/c1-9-5-10(2)17(11(3)6-9)24-28(25,26)15-8-14(27-12(15)4)13-7-16(23-22-13)18(19,20)21/h5-8,24H,1-4H3,(H,22,23)
InChIKeyBZDFVZIEYRXOCM-UHFFFAOYSA-N
XLogP5.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53083755
2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396444
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride
CID 53212052
2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
CID 50840249
N-(2,4-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396381
N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396391
N-[(2-methoxyphenyl)methyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396427
N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396414
N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083788
N-(2-fluorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083729
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 53083779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide (CID 46396421) is 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c(C)c1.
What is the InChIKey of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide?
The InChIKey is BZDFVZIEYRXOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S2/c1-9-5-10(2)17(11(3)6-9)24-28(25,26)15-8-14(27-12(15)4)13-7-16(23-22-13)18(19,20)21/h5-8,24H,1-4H3,(H,22,23).
What are the key properties of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide?
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide has a molecular weight of 429.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 46396421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).