1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C19H20FN3O2S2 — CID 42351136

IUPAC1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2cccs2)cc1F
InChIInChI=1S/C19H20FN3O2S2/c1-13-8-9-14(11-16(13)20)22-27(24,25)18-12-23(15-5-2-3-6-15)21-19(18)17-7-4-10-26-17/h4,7-12,15,22H,2-3,5-6H2,1H3
InChIKeyFXWYTMYFMAJMGH-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.98
Rot. Bonds5

About 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351136) has the molecular formula C19H20FN3O2S2 and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351136
Molecular FormulaC19H20FN3O2S2
Molecular Weight405.52 g/mol
Exact Mass405.10
IUPAC Name1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2cccs2)cc1F
InChIInChI=1S/C19H20FN3O2S2/c1-13-8-9-14(11-16(13)20)22-27(24,25)18-12-23(15-5-2-3-6-15)21-19(18)17-7-4-10-26-17/h4,7-12,15,22H,2-3,5-6H2,1H3
InChIKeyFXWYTMYFMAJMGH-UHFFFAOYSA-N
XLogP4.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350500
3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 42284222
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351188
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
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
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351136) is 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2cccs2)cc1F.
What is the InChIKey of 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is FXWYTMYFMAJMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S2/c1-13-8-9-14(11-16(13)20)22-27(24,25)18-12-23(15-5-2-3-6-15)21-19(18)17-7-4-10-26-17/h4,7-12,15,22H,2-3,5-6H2,1H3.
What are the key properties of 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).