5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide

C16H19ClFN3O2S — CID 51126999

IUPAC5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H19ClFN3O2S/c1-11-14(15(17)21(2)19-11)24(22,23)20-16(9-3-4-10-16)12-5-7-13(18)8-6-12/h5-8,20H,3-4,9-10H2,1-2H3
InChIKeyAHOUQKLEEKMXTM-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.27
Rot. Bonds4

About 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 51126999) has the molecular formula C16H19ClFN3O2S and a molecular weight of 371.87 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID51126999
Molecular FormulaC16H19ClFN3O2S
Molecular Weight371.87 g/mol
Exact Mass371.09
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H19ClFN3O2S/c1-11-14(15(17)21(2)19-11)24(22,23)20-16(9-3-4-10-16)12-5-7-13(18)8-6-12/h5-8,20H,3-4,9-10H2,1-2H3
InChIKeyAHOUQKLEEKMXTM-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
4-(4-Chlorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72550442
4-(4-Chloro-3-fluorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72550886
4-(4-Chloro-2-fluorobenzyl)-4-fluoro-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72551106
4-(4-Chloro-2-fluorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72551107
4-(4-Chloro-2-fluorobenzylidene)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580704
1-((5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(4 chlorobenzyl)piperidine
CID 72550668
US9656955, Example 486
CID 90406718
5-chloro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 4982535
5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5018231
5-chloro-N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 122188530
5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 2805606

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 51126999) is 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is AHOUQKLEEKMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2S/c1-11-14(15(17)21(2)19-11)24(22,23)20-16(9-3-4-10-16)12-5-7-13(18)8-6-12/h5-8,20H,3-4,9-10H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 371.87 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51126999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).