5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide

C10H9BrF3N3O2S2 — CID 90588762

IUPAC5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccc(Br)s1
InChIInChI=1S/C10H9BrF3N3O2S2/c11-8-1-2-9(20-8)21(18,19)15-4-6-17-5-3-7(16-17)10(12,13)14/h1-3,5,15H,4,6H2
InChIKeyYFJSOXHOOVJOAO-UHFFFAOYSA-N
MW404.23 g/mol
LogP2.70
Rot. Bonds5

About 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 90588762) has the molecular formula C10H9BrF3N3O2S2 and a molecular weight of 404.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID90588762
Molecular FormulaC10H9BrF3N3O2S2
Molecular Weight404.23 g/mol
Exact Mass402.93
IUPAC Name5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccc(Br)s1
InChIInChI=1S/C10H9BrF3N3O2S2/c11-8-1-2-9(20-8)21(18,19)15-4-6-17-5-3-7(16-17)10(12,13)14/h1-3,5,15H,4,6H2
InChIKeyYFJSOXHOOVJOAO-UHFFFAOYSA-N
XLogP2.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]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-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide (CID 90588762) is 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is YFJSOXHOOVJOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O2S2/c11-8-1-2-9(20-8)21(18,19)15-4-6-17-5-3-7(16-17)10(12,13)14/h1-3,5,15H,4,6H2.
What are the key properties of 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 404.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90588762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).