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

C20H19F4N5O3S — CID 126508483

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(F)c1
InChIInChI=1S/C20H19F4N5O3S/c21-15-2-1-3-16(11-15)29(33(30,31)28-8-6-25-7-9-28)12-14-5-4-13(10-17(14)22)19-26-27-20(32-19)18(23)24/h1-5,10-11,18,25H,6-9,12H2
InChIKeyPDYXUWCKMGIVKJ-UHFFFAOYSA-N
MW485.46 g/mol
LogP3.11
Rot. Bonds7

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide (PubChem CID 126508483) has the molecular formula C20H19F4N5O3S and a molecular weight of 485.46 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide
PubChem CID126508483
Molecular FormulaC20H19F4N5O3S
Molecular Weight485.46 g/mol
Exact Mass485.11
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(F)c1
InChIInChI=1S/C20H19F4N5O3S/c21-15-2-1-3-16(11-15)29(33(30,31)28-8-6-25-7-9-28)12-14-5-4-13(10-17(14)22)19-26-27-20(32-19)18(23)24/h1-5,10-11,18,25H,6-9,12H2
InChIKeyPDYXUWCKMGIVKJ-UHFFFAOYSA-N
XLogP3.11
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 78427023
CID 78427023
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
US10464911, Example 31
CID 126507518
N-[4-[4-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]piperidino]sulfonylphenyl]acetamide
CID 16009119
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 145969783
US10464911, Example 22
CID 126506972
US10464911, Example 45
CID 126507020
US10464911, Example 16
CID 126507523
US10464911, Example 34
CID 126507527
US10464911, Example 44
CID 126507648
US10464911, Example 40
CID 126507670
US10464911, Example 8
CID 126507720

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide (CID 126508483) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(F)c1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide?
The InChIKey is PDYXUWCKMGIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O3S/c21-15-2-1-3-16(11-15)29(33(30,31)28-8-6-25-7-9-28)12-14-5-4-13(10-17(14)22)19-26-27-20(32-19)18(23)24/h1-5,10-11,18,25H,6-9,12H2.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide has a molecular weight of 485.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 126508483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).