1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide

C16H15F2N3O2S2 — CID 91629211

IUPAC1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H15F2N3O2S2/c17-14-1-2-15(18)13(9-14)11-25(22,23)19-5-7-21-6-3-16(20-21)12-4-8-24-10-12/h1-4,6,8-10,19H,5,7,11H2
InChIKeyIIIHJNGZIMENTA-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.01
Rot. Bonds7

About 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 91629211) has the molecular formula C16H15F2N3O2S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID91629211
Molecular FormulaC16H15F2N3O2S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H15F2N3O2S2/c17-14-1-2-15(18)13(9-14)11-25(22,23)19-5-7-21-6-3-16(20-21)12-4-8-24-10-12/h1-4,6,8-10,19H,5,7,11H2
InChIKeyIIIHJNGZIMENTA-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide 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 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide (CID 91629211) is 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is IIIHJNGZIMENTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S2/c17-14-1-2-15(18)13(9-14)11-25(22,23)19-5-7-21-6-3-16(20-21)12-4-8-24-10-12/h1-4,6,8-10,19H,5,7,11H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 91629211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).