5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide

C9H8F3N3O2S2 — CID 2820380

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H8F3N3O2S2/c1-15-5(4-7(14-15)9(10,11)12)6-2-3-8(18-6)19(13,16)17/h2-4H,1H3,(H2,13,16,17)
InChIKeyYUINHXMHMCDGHD-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.81
Rot. Bonds2

About 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide (PubChem CID 2820380) has the molecular formula C9H8F3N3O2S2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide
PubChem CID2820380
Molecular FormulaC9H8F3N3O2S2
Molecular Weight311.31 g/mol
Exact Mass311.00
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H8F3N3O2S2/c1-15-5(4-7(14-15)9(10,11)12)6-2-3-8(18-6)19(13,16)17/h2-4H,1H3,(H2,13,16,17)
InChIKeyYUINHXMHMCDGHD-UHFFFAOYSA-N
XLogP1.81
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'2-acetyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonohydrazide
CID 541020
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
4-[5-(5-Methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315630
4-(5-Thiophen-2-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 2799866
5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
CID 2775671
[3-[[5-[1,5-Bis(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]boronic acid
CID 52940002
1-Methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 2820328
1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
(E)-2-(4-chlorophenyl)sulfonyl-3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]prop-2-enenitrile
CID 5897783
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbaldehyde thiosemicarbazone
CID 11067581
4-Bromo-3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole
CID 2820450
N,N-dimethyl-N'-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylmethanimidamide
CID 9583119

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide (CID 2820380) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide is Cn1nc(C(F)(F)F)cc1-c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is YUINHXMHMCDGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S2/c1-15-5(4-7(14-15)9(10,11)12)6-2-3-8(18-6)19(13,16)17/h2-4H,1H3,(H2,13,16,17).
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 311.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2820380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).