4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C14H9BrF3N3O2S2 — CID 10742263

IUPAC4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)s2)cc1
InChIInChI=1S/C14H9BrF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23)
InChIKeyTVETVUKIGCRVNH-UHFFFAOYSA-N
MW452.28 g/mol
LogP4.03
Rot. Bonds3

About 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10742263) has the molecular formula C14H9BrF3N3O2S2 and a molecular weight of 452.28 g/mol. Its IUPAC name is 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10742263
Molecular FormulaC14H9BrF3N3O2S2
Molecular Weight452.28 g/mol
Exact Mass450.93
IUPAC Name4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)s2)cc1
InChIInChI=1S/C14H9BrF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23)
InChIKeyTVETVUKIGCRVNH-UHFFFAOYSA-N
XLogP4.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(5-Chloro-thiophen-2-yl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10716372
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
[3-[[5-[1,5-Bis(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]boronic acid
CID 52940002
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
N-[bis(methylsulfanyl)methylidene]-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 2799878
1-(4-Methanesulfonylphenyl)-5-thiophen-2-yl-3-trifluoromethyl-1h-pyrazole
CID 129885201
3-[Bromo(difluoro)methyl]-1-phenyl-5-thiophen-2-ylpyrazole
CID 135066479
4-fluoro-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 2811555
N,N-dimethyl-N'-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylmethanimidamide
CID 2799877
4-[5-(5-Bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 15293124

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10742263) is 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is TVETVUKIGCRVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23).
What are the key properties of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 452.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10742263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).