N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

C20H22FN3O2S2 — CID 71797472

IUPACN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C20H22FN3O2S2/c21-16-9-7-15(8-10-16)14-28(25,26)22-13-17-12-19(20-6-3-11-27-20)24(23-17)18-4-1-2-5-18/h3,6-12,18,22H,1-2,4-5,13-14H2
InChIKeyDXJSLQMNXDAGAL-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.49
Rot. Bonds7

About N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 71797472) has the molecular formula C20H22FN3O2S2 and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID71797472
Molecular FormulaC20H22FN3O2S2
Molecular Weight419.55 g/mol
Exact Mass419.11
IUPAC NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C20H22FN3O2S2/c21-16-9-7-15(8-10-16)14-28(25,26)22-13-17-12-19(20-6-3-11-27-20)24(23-17)18-4-1-2-5-18/h3,6-12,18,22H,1-2,4-5,13-14H2
InChIKeyDXJSLQMNXDAGAL-UHFFFAOYSA-N
XLogP4.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)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 N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (CID 71797472) is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is DXJSLQMNXDAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S2/c21-16-9-7-15(8-10-16)14-28(25,26)22-13-17-12-19(20-6-3-11-27-20)24(23-17)18-4-1-2-5-18/h3,6-12,18,22H,1-2,4-5,13-14H2.
What are the key properties of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71797472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).