1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide

C19H19F2N3O2S2 — CID 42351188

IUPAC1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1c(F)cccc1F)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C19H19F2N3O2S2/c20-15-7-3-8-16(21)14(15)11-22-28(25,26)18-12-24(13-5-1-2-6-13)23-19(18)17-9-4-10-27-17/h3-4,7-10,12-13,22H,1-2,5-6,11H2
InChIKeyYQILUGFPARHZPU-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.48
Rot. Bonds6

About 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide

1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351188) has the molecular formula C19H19F2N3O2S2 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351188
Molecular FormulaC19H19F2N3O2S2
Molecular Weight423.51 g/mol
Exact Mass423.09
IUPAC Name1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1c(F)cccc1F)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C19H19F2N3O2S2/c20-15-7-3-8-16(21)14(15)11-22-28(25,26)18-12-24(13-5-1-2-6-13)23-19(18)17-9-4-10-27-17/h3-4,7-10,12-13,22H,1-2,5-6,11H2
InChIKeyYQILUGFPARHZPU-UHFFFAOYSA-N
XLogP4.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 42350649
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351188) is 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(NCc1c(F)cccc1F)c1cn(C2CCCC2)nc1-c1cccs1.
What is the InChIKey of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is YQILUGFPARHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S2/c20-15-7-3-8-16(21)14(15)11-22-28(25,26)18-12-24(13-5-1-2-6-13)23-19(18)17-9-4-10-27-17/h3-4,7-10,12-13,22H,1-2,5-6,11H2.
What are the key properties of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 423.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).