N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide

C18H18ClF3N4O4S — CID 55410656

IUPACN-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18ClF3N4O4S/c19-13-1-6-16(23-11-13)24-17(27)12-25-7-9-26(10-8-25)31(28,29)15-4-2-14(3-5-15)30-18(20,21)22/h1-6,11H,7-10,12H2,(H,23,24,27)
InChIKeyJQZKPHQHVOCLFN-UHFFFAOYSA-N
MW478.88 g/mol
LogP2.58
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 55410656) has the molecular formula C18H18ClF3N4O4S and a molecular weight of 478.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID55410656
Molecular FormulaC18H18ClF3N4O4S
Molecular Weight478.88 g/mol
Exact Mass478.07
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18ClF3N4O4S/c19-13-1-6-16(23-11-13)24-17(27)12-25-7-9-26(10-8-25)31(28,29)15-4-2-14(3-5-15)30-18(20,21)22/h1-6,11H,7-10,12H2,(H,23,24,27)
InChIKeyJQZKPHQHVOCLFN-UHFFFAOYSA-N
XLogP2.58
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 34697895
N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 55411447
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26626370
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 5215915
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26573911
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527536
2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 17024466
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 55410656) is N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is JQZKPHQHVOCLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O4S/c19-13-1-6-16(23-11-13)24-17(27)12-25-7-9-26(10-8-25)31(28,29)15-4-2-14(3-5-15)30-18(20,21)22/h1-6,11H,7-10,12H2,(H,23,24,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 478.88 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 55410656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).