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

C9H8F3N3O2S2 — CID 2820331

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(N)(=O)=O)s2)cc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O2S2/c1-15-7(9(10,11)12)4-5(14-15)6-2-3-8(18-6)19(13,16)17/h2-4H,1H3,(H2,13,16,17)
InChIKeyDOSZVTCIVRRSHC-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.81
Rot. Bonds2

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

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 2820331) has the molecular formula C9H8F3N3O2S2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID2820331
Molecular FormulaC9H8F3N3O2S2
Molecular Weight311.31 g/mol
Exact Mass311.00
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(N)(=O)=O)s2)cc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O2S2/c1-15-7(9(10,11)12)4-5(14-15)6-2-3-8(18-6)19(13,16)17/h2-4H,1H3,(H2,13,16,17)
InChIKeyDOSZVTCIVRRSHC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (CID 2820331) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is Cn1nc(-c2ccc(S(N)(=O)=O)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is DOSZVTCIVRRSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S2/c1-15-7(9(10,11)12)4-5(14-15)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-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-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-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2820331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).