N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide

C19H18F4N6O3S — CID 126507518

IUPACN-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1cccnc1
InChIInChI=1S/C19H18F4N6O3S/c20-16-10-13(17-26-27-18(32-17)19(21,22)23)3-4-14(16)12-29(15-2-1-5-25-11-15)33(30,31)28-8-6-24-7-9-28/h1-5,10-11,24H,6-9,12H2
InChIKeyUVZLMQMSSNANJH-UHFFFAOYSA-N
MW486.45 g/mol
LogP2.45
Rot. Bonds6

About N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide

N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide (PubChem CID 126507518) has the molecular formula C19H18F4N6O3S and a molecular weight of 486.45 g/mol. Its IUPAC name is N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide
PubChem CID126507518
Molecular FormulaC19H18F4N6O3S
Molecular Weight486.45 g/mol
Exact Mass486.11
IUPAC NameN-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1cccnc1
InChIInChI=1S/C19H18F4N6O3S/c20-16-10-13(17-26-27-18(32-17)19(21,22)23)3-4-14(16)12-29(15-2-1-5-25-11-15)33(30,31)28-8-6-24-7-9-28/h1-5,10-11,24H,6-9,12H2
InChIKeyUVZLMQMSSNANJH-UHFFFAOYSA-N
XLogP2.45
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
The IUPAC name of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide (CID 126507518) is N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1cccnc1.
What is the InChIKey of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
The InChIKey is UVZLMQMSSNANJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O3S/c20-16-10-13(17-26-27-18(32-17)19(21,22)23)3-4-14(16)12-29(15-2-1-5-25-11-15)33(30,31)28-8-6-24-7-9-28/h1-5,10-11,24H,6-9,12H2.
What are the key properties of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide has a molecular weight of 486.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 126507518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).