3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

C17H21FN4O2S — CID 110254997

IUPAC3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2nccnc2-c2cccc(F)c2)C1
InChIInChI=1S/C17H21FN4O2S/c1-21(2)25(23,24)22-10-4-6-14(12-22)17-16(19-8-9-20-17)13-5-3-7-15(18)11-13/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3
InChIKeyALEVSMVBGOBYMM-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.27
Rot. Bonds4

About 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 110254997) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID110254997
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2nccnc2-c2cccc(F)c2)C1
InChIInChI=1S/C17H21FN4O2S/c1-21(2)25(23,24)22-10-4-6-14(12-22)17-16(19-8-9-20-17)13-5-3-7-15(18)11-13/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3
InChIKeyALEVSMVBGOBYMM-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
CID 110255003
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
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
[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95819446
[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819269
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255118
3-(4-fluorophenyl)-1-[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819418
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 110254997) is 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(c2nccnc2-c2cccc(F)c2)C1.
What is the InChIKey of 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is ALEVSMVBGOBYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-21(2)25(23,24)22-10-4-6-14(12-22)17-16(19-8-9-20-17)13-5-3-7-15(18)11-13/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3.
What are the key properties of 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).