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

C11H12F3N3O2S2 — CID 131924196

IUPACN,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H12F3N3O2S2/c1-6-9(21(18,19)17(2)3)5-8(20-6)7-4-10(16-15-7)11(12,13)14/h4-5H,1-3H3,(H,15,16)
InChIKeyVLYSIWAWBPFHHZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.72
Rot. Bonds3

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

N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (PubChem CID 131924196) has the molecular formula C11H12F3N3O2S2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
PubChem CID131924196
Molecular FormulaC11H12F3N3O2S2
Molecular Weight339.36 g/mol
Exact Mass339.03
IUPAC NameN,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H12F3N3O2S2/c1-6-9(21(18,19)17(2)3)5-8(20-6)7-4-10(16-15-7)11(12,13)14/h4-5H,1-3H3,(H,15,16)
InChIKeyVLYSIWAWBPFHHZ-UHFFFAOYSA-N
XLogP2.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-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 N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (CID 131924196) is N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is VLYSIWAWBPFHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S2/c1-6-9(21(18,19)17(2)3)5-8(20-6)7-4-10(16-15-7)11(12,13)14/h4-5H,1-3H3,(H,15,16).
What are the key properties of N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 339.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 131924196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).