2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide

C20H23ClFN3O3S — CID 134126413

IUPAC2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
SMILESCC1NNC(c2ccc(Cl)cc2)C1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23ClFN3O3S/c1-13-18(20(25-24-13)14-2-4-15(21)5-3-14)12-19(26)23-10-11-29(27,28)17-8-6-16(22)7-9-17/h2-9,13,18,20,24-25H,10-12H2,1H3,(H,23,26)
InChIKeyMMISLLWWXZJTOW-UHFFFAOYSA-N
MW439.94 g/mol
LogP2.61
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide

2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide (PubChem CID 134126413) has the molecular formula C20H23ClFN3O3S and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
PubChem CID134126413
Molecular FormulaC20H23ClFN3O3S
Molecular Weight439.94 g/mol
Exact Mass439.11
IUPAC Name2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
SMILESCC1NNC(c2ccc(Cl)cc2)C1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23ClFN3O3S/c1-13-18(20(25-24-13)14-2-4-15(21)5-3-14)12-19(26)23-10-11-29(27,28)17-8-6-16(22)7-9-17/h2-9,13,18,20,24-25H,10-12H2,1H3,(H,23,26)
InChIKeyMMISLLWWXZJTOW-UHFFFAOYSA-N
XLogP2.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 95348488
2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 134125983
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide
CID 119725578
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
N-[2-(4-chlorophenyl)sulfonylethyl]but-2-ynamide
CID 166403313
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
N-[2-(4-fluorophenyl)sulfonylethyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 99715935
N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide
CID 77088465

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide (CID 134126413) is 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide is CC1NNC(c2ccc(Cl)cc2)C1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The InChIKey is MMISLLWWXZJTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O3S/c1-13-18(20(25-24-13)14-2-4-15(21)5-3-14)12-19(26)23-10-11-29(27,28)17-8-6-16(22)7-9-17/h2-9,13,18,20,24-25H,10-12H2,1H3,(H,23,26).
What are the key properties of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide has a molecular weight of 439.94 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 134126413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).