N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide

C20H22F2N6O3S — CID 126507917

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC1
InChIInChI=1S/C20H22F2N6O3S/c1-26-9-11-27(12-10-26)32(29,30)28(17-5-3-2-4-6-17)14-16-8-7-15(13-23-16)19-24-25-20(31-19)18(21)22/h2-8,13,18H,9-12,14H2,1H3
InChIKeyTZZYLOQLBZNTEZ-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.57
Rot. Bonds7

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide (PubChem CID 126507917) has the molecular formula C20H22F2N6O3S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide
PubChem CID126507917
Molecular FormulaC20H22F2N6O3S
Molecular Weight464.50 g/mol
Exact Mass464.14
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC1
InChIInChI=1S/C20H22F2N6O3S/c1-26-9-11-27(12-10-26)32(29,30)28(17-5-3-2-4-6-17)14-16-8-7-15(13-23-16)19-24-25-20(31-19)18(21)22/h2-8,13,18H,9-12,14H2,1H3
InChIKeyTZZYLOQLBZNTEZ-UHFFFAOYSA-N
XLogP2.57
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide with MolForge

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Related Compounds

Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
US10464911, Example 31
CID 126507518
N-[[5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]benzamide
CID 145961199
N-(3-chloro-4-fluorophenyl)-4-(oxetan-3-yl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide
CID 168293360
{[3-(5-(3-Pyridyl)-1,3,4-oxadiazol-2-yl)phenyl]sulfonyl}piperidine
CID 1117979
US10464911, Example 54
CID 126506958
US10464911, Example 71
CID 126507175
US10464911, Example 35
CID 126507200
US10464911, Example 38
CID 126507754
US10464911, Example 55
CID 126507833
US10464911, Example 69
CID 126507871
US10464911, Example 30
CID 126508037

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide (CID 126507917) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide?
The InChIKey is TZZYLOQLBZNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O3S/c1-26-9-11-27(12-10-26)32(29,30)28(17-5-3-2-4-6-17)14-16-8-7-15(13-23-16)19-24-25-20(31-19)18(21)22/h2-8,13,18H,9-12,14H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide has a molecular weight of 464.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-methyl-N-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 126507917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).