N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide

C18H21F3N4O2S — CID 110255003

IUPACN,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2nccnc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N4O2S/c1-24(2)28(26,27)25-10-4-6-14(12-25)17-16(22-8-9-23-17)13-5-3-7-15(11-13)18(19,20)21/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3
InChIKeyONTKIGRWKIMNPE-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.15
Rot. Bonds4

About N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide

N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide (PubChem CID 110255003) has the molecular formula C18H21F3N4O2S and a molecular weight of 414.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
PubChem CID110255003
Molecular FormulaC18H21F3N4O2S
Molecular Weight414.45 g/mol
Exact Mass414.13
IUPAC NameN,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2nccnc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N4O2S/c1-24(2)28(26,27)25-10-4-6-14(12-25)17-16(22-8-9-23-17)13-5-3-7-15(11-13)18(19,20)21/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3
InChIKeyONTKIGRWKIMNPE-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110254997
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 95818569
3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110102185
(3R)-3-(3-chloropyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 95829502
2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819232
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide
CID 91625468
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120298
N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide (CID 110255003) is N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(c2nccnc2-c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide?
The InChIKey is ONTKIGRWKIMNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2S/c1-24(2)28(26,27)25-10-4-6-14(12-25)17-16(22-8-9-23-17)13-5-3-7-15(11-13)18(19,20)21/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide?
N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide has a molecular weight of 414.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 110255003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).