2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide

C19H22ClF3N4O3S — CID 2471662

IUPAC2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCCC1
InChIInChI=1S/C19H22ClF3N4O3S/c20-16-4-3-14(11-15(16)19(21,22)23)31(29,30)27-9-7-26(8-10-27)12-17(28)25-18(13-24)5-1-2-6-18/h3-4,11H,1-2,5-10,12H2,(H,25,28)
InChIKeyHNGANXZGNGBZDR-UHFFFAOYSA-N
MW478.92 g/mol
LogP2.62
Rot. Bonds5

About 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide

2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 2471662) has the molecular formula C19H22ClF3N4O3S and a molecular weight of 478.92 g/mol. Its IUPAC name is 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
PubChem CID2471662
Molecular FormulaC19H22ClF3N4O3S
Molecular Weight478.92 g/mol
Exact Mass478.11
IUPAC Name2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCCC1
InChIInChI=1S/C19H22ClF3N4O3S/c20-16-4-3-14(11-15(16)19(21,22)23)31(29,30)27-9-7-26(8-10-27)12-17(28)25-18(13-24)5-1-2-6-18/h3-4,11H,1-2,5-10,12H2,(H,25,28)
InChIKeyHNGANXZGNGBZDR-UHFFFAOYSA-N
XLogP2.62
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocycloheptyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 30666896
N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 30667403
N-(1-cyanocyclopentyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393591
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 27185213
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 31632057
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3239778
(2R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 8690526
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine;hydrochloride
CID 17390369
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 38357458
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 8591164
4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34686570
N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide
CID 52675624

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (CID 2471662) is 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCCC1.
What is the InChIKey of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is HNGANXZGNGBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4O3S/c20-16-4-3-14(11-15(16)19(21,22)23)31(29,30)27-9-7-26(8-10-27)12-17(28)25-18(13-24)5-1-2-6-18/h3-4,11H,1-2,5-10,12H2,(H,25,28).
What are the key properties of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 478.92 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 2471662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).