3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one

C21H18F3N3O4S — CID 16612909

IUPAC3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H18F3N3O4S/c22-21(23,24)15-5-7-16(8-6-15)32(30,31)27-11-9-26(10-12-27)20(29)17-13-14-3-1-2-4-18(14)25-19(17)28/h1-8,13H,9-12H2,(H,25,28)
InChIKeyUVZFMHJSXQWDNH-UHFFFAOYSA-N
MW465.45 g/mol
LogP2.69
Rot. Bonds3

About 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one

3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 16612909) has the molecular formula C21H18F3N3O4S and a molecular weight of 465.45 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID16612909
Molecular FormulaC21H18F3N3O4S
Molecular Weight465.45 g/mol
Exact Mass465.10
IUPAC Name3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H18F3N3O4S/c22-21(23,24)15-5-7-16(8-6-15)32(30,31)27-11-9-26(10-12-27)20(29)17-13-14-3-1-2-4-18(14)25-19(17)28/h1-8,13H,9-12H2,(H,25,28)
InChIKeyUVZFMHJSXQWDNH-UHFFFAOYSA-N
XLogP2.69
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55586709
naphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778582
3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16589989
4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616073
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722
naphthalen-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26204474
1-[4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9188693
3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 24608162
[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 27828995
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
(3-methoxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778551
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 36723786

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one (CID 16612909) is 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc2ccccc2[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is UVZFMHJSXQWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4S/c22-21(23,24)15-5-7-16(8-6-15)32(30,31)27-11-9-26(10-12-27)20(29)17-13-14-3-1-2-4-18(14)25-19(17)28/h1-8,13H,9-12H2,(H,25,28).
What are the key properties of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 465.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 16612909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).