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

C17H16F3N3O2S2 — CID 53083755

IUPAC5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c(C)c1
InChIInChI=1S/C17H16F3N3O2S2/c1-9-6-10(2)16(11(3)7-9)23-27(24,25)15-5-4-13(26-15)12-8-14(22-21-12)17(18,19)20/h4-8,23H,1-3H3,(H,21,22)
InChIKeyHSUWTORMWDQIHW-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.88
Rot. Bonds4

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

5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide (PubChem CID 53083755) has the molecular formula C17H16F3N3O2S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
PubChem CID53083755
Molecular FormulaC17H16F3N3O2S2
Molecular Weight415.46 g/mol
Exact Mass415.06
IUPAC Name5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c(C)c1
InChIInChI=1S/C17H16F3N3O2S2/c1-9-6-10(2)16(11(3)7-9)23-27(24,25)15-5-4-13(26-15)12-8-14(22-21-12)17(18,19)20/h4-8,23H,1-3H3,(H,21,22)
InChIKeyHSUWTORMWDQIHW-UHFFFAOYSA-N
XLogP4.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
CID 46396421
N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083788
N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 53083779
N-(2-fluorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083729
N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083736
N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083734
2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396444
5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53102818
N-(3,4-dimethylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 59631957
N-(2,4-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396381

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide (CID 53083755) is 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c(C)c1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is HSUWTORMWDQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S2/c1-9-6-10(2)16(11(3)7-9)23-27(24,25)15-5-4-13(26-15)12-8-14(22-21-12)17(18,19)20/h4-8,23H,1-3H3,(H,21,22).
What are the key properties of 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 415.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53083755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).