N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H19F3N4O3S — CID 71786437

IUPACN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)27-14-1-3-15(4-2-14)28(25,26)23-11-13-5-9-24(10-6-13)16-12-21-7-8-22-16/h1-4,7-8,12-13,23H,5-6,9-11H2
InChIKeyQXCKPOPOGCTHTD-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.57
Rot. Bonds6

About N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71786437) has the molecular formula C17H19F3N4O3S and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71786437
Molecular FormulaC17H19F3N4O3S
Molecular Weight416.43 g/mol
Exact Mass416.11
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)27-14-1-3-15(4-2-14)28(25,26)23-11-13-5-9-24(10-6-13)16-12-21-7-8-22-16/h1-4,7-8,12-13,23H,5-6,9-11H2
InChIKeyQXCKPOPOGCTHTD-UHFFFAOYSA-N
XLogP2.57
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108282
2,3,4,5,6-pentamethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108339
2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108343
2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108326
5-ethyl-2-methoxy-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108330
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134004681
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62592661
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
2-[[4-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclohexyl]methyl]guanidine;dihydrochloride
CID 159775934
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 71786437) is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QXCKPOPOGCTHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3S/c18-17(19,20)27-14-1-3-15(4-2-14)28(25,26)23-11-13-5-9-24(10-6-13)16-12-21-7-8-22-16/h1-4,7-8,12-13,23H,5-6,9-11H2.
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 416.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71786437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).