(6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

C19H20F3N3O3S — CID 59161381

IUPAC(6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cn1
InChIInChI=1S/C19H20F3N3O3S/c1-13-3-4-15(11-23-13)18(26)25-10-9-24(12-14(25)2)29(27,28)17-7-5-16(6-8-17)19(20,21)22/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m0/s1
InChIKeyXZQDFHOEWRVSKV-AWEZNQCLSA-N
MW427.45 g/mol
LogP2.94
Rot. Bonds3

About (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

(6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 59161381) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID59161381
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC Name(6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cn1
InChIInChI=1S/C19H20F3N3O3S/c1-13-3-4-15(11-23-13)18(26)25-10-9-24(12-14(25)2)29(27,28)17-7-5-16(6-8-17)19(20,21)22/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m0/s1
InChIKeyXZQDFHOEWRVSKV-AWEZNQCLSA-N
XLogP2.94
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cnv-2197944
CID 44595848
Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-
CID 667537
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
N-(3,4-difluorophenyl)-1-[(6-methyl-3-pyridinyl)carbonyl]-3-piperidinamine
CID 24791780
(4-Naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 1151521
N-Benzyl-N-pyridin-3-ylmethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 9826037
1-[3,5-Bis(trifluoromethyl)benzenesulfonyl]-4-(pyridine-4-carbonyl)piperazine
CID 24979152
5-(Phenylsulfonyl)-N-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 46229365
N-(1-Isonicotinoylpiperidin-4-yl)-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 46229366
5-(Phenylsulfonyl)-2-(trifluoromethyl)-N-(1-{[6-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)benzenesulfonamide
CID 46229389
N-(4-((4-cyanophenyl)sulfonyl) piperidin-4-yl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 58073245

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (CID 59161381) is (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is XZQDFHOEWRVSKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c1-13-3-4-15(11-23-13)18(26)25-10-9-24(12-14(25)2)29(27,28)17-7-5-16(6-8-17)19(20,21)22/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
(6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 427.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 59161381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).