3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C17H15ClF3N3O4S — CID 24608162

IUPAC3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15ClF3N3O4S/c18-11-1-3-12(4-2-11)29(27,28)24-9-7-23(8-10-24)16(26)13-5-6-14(17(19,20)21)22-15(13)25/h1-6H,7-10H2,(H,22,25)
InChIKeyHNMCQURGCMVFJE-UHFFFAOYSA-N
MW449.84 g/mol
LogP2.19
Rot. Bonds3

About 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 24608162) has the molecular formula C17H15ClF3N3O4S and a molecular weight of 449.84 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID24608162
Molecular FormulaC17H15ClF3N3O4S
Molecular Weight449.84 g/mol
Exact Mass449.04
IUPAC Name3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15ClF3N3O4S/c18-11-1-3-12(4-2-11)29(27,28)24-9-7-23(8-10-24)16(26)13-5-6-14(17(19,20)21)22-15(13)25/h1-6H,7-10H2,(H,22,25)
InChIKeyHNMCQURGCMVFJE-UHFFFAOYSA-N
XLogP2.19
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.84
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 55836861
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 26202322
3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 55822523
3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16612909
3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 16595504
3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 122147899
1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63032313
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24629532

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 24608162) is 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HNMCQURGCMVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O4S/c18-11-1-3-12(4-2-11)29(27,28)24-9-7-23(8-10-24)16(26)13-5-6-14(17(19,20)21)22-15(13)25/h1-6H,7-10H2,(H,22,25).
What are the key properties of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 449.84 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 24608162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).