2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide

C14H10F3N3O2S2 — CID 5015845

IUPAC2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3N3O2S2/c1-20-12(7-9(18-20)10-3-2-6-23-10)19-24(21,22)11-5-4-8(15)13(16)14(11)17/h2-7,19H,1H3
InChIKeyAPHGJSLVHLEXFR-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.37
Rot. Bonds4

About 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide

2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide (PubChem CID 5015845) has the molecular formula C14H10F3N3O2S2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
PubChem CID5015845
Molecular FormulaC14H10F3N3O2S2
Molecular Weight373.38 g/mol
Exact Mass373.02
IUPAC Name2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3N3O2S2/c1-20-12(7-9(18-20)10-3-2-6-23-10)19-24(21,22)11-5-4-8(15)13(16)14(11)17/h2-7,19H,1H3
InChIKeyAPHGJSLVHLEXFR-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]benzenesulfonamide
CID 2742752
1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 57750936
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2820354
n-(1,3-Dimethyl-1h-pyrazol-5-yl)-4-fluorobenzenesulfonamide
CID 35291251
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 44059151
N-(2,5-dimethylpyrazol-3-yl)-1-benzothiophene-3-sulfonamide
CID 172436702
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)thiophene-2-sulfonamide
CID 172437952
3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 2742764
1-(1,1-dioxidotetrahydro-3-thienyl)-3-(2-thienyl)-1H-pyrazol-5-amine
CID 43090486

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide (CID 5015845) is 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide is Cn1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is APHGJSLVHLEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S2/c1-20-12(7-9(18-20)10-3-2-6-23-10)19-24(21,22)11-5-4-8(15)13(16)14(11)17/h2-7,19H,1H3.
What are the key properties of 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 373.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 5015845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).