1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide

C17H21FN4O2S — CID 121108298

IUPAC1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H21FN4O2S/c18-16-3-1-2-15(10-16)13-25(23,24)21-11-14-4-8-22(9-5-14)17-12-19-6-7-20-17/h1-3,6-7,10,12,14,21H,4-5,8-9,11,13H2
InChIKeyDMHOZTYHKLWMGT-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.95
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide

1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 121108298) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID121108298
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H21FN4O2S/c18-16-3-1-2-15(10-16)13-25(23,24)21-11-14-4-8-22(9-5-14)17-12-19-6-7-20-17/h1-3,6-7,10,12,14,21H,4-5,8-9,11,13H2
InChIKeyDMHOZTYHKLWMGT-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108343
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108282
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
2,3,4,5,6-pentamethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108339
2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108326
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71786437
2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 71786573
5-ethyl-2-methoxy-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108330
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62592661
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide (CID 121108298) is 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is DMHOZTYHKLWMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c18-16-3-1-2-15(10-16)13-25(23,24)21-11-14-4-8-22(9-5-14)17-12-19-6-7-20-17/h1-3,6-7,10,12,14,21H,4-5,8-9,11,13H2.
What are the key properties of 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 121108298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).