N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C16H14F3N3O2S2 — CID 71808172

IUPACN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2S2/c17-16(18,19)12-3-1-4-13(11-12)26(23,24)20-7-9-22-8-6-14(21-22)15-5-2-10-25-15/h1-6,8,10-11,20H,7,9H2
InChIKeyDWVCGAVLCBLFLQ-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71808172) has the molecular formula C16H14F3N3O2S2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71808172
Molecular FormulaC16H14F3N3O2S2
Molecular Weight401.44 g/mol
Exact Mass401.05
IUPAC NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2S2/c17-16(18,19)12-3-1-4-13(11-12)26(23,24)20-7-9-22-8-6-14(21-22)15-5-2-10-25-15/h1-6,8,10-11,20H,7,9H2
InChIKeyDWVCGAVLCBLFLQ-UHFFFAOYSA-N
XLogP3.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide 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-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 71808172) is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCn1ccc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DWVCGAVLCBLFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S2/c17-16(18,19)12-3-1-4-13(11-12)26(23,24)20-7-9-22-8-6-14(21-22)15-5-2-10-25-15/h1-6,8,10-11,20H,7,9H2.
What are the key properties of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71808172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).