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

C21H14F4N4O2S — CID 145238907

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide
SMILESO=S(c1cccnc1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(F)c1
InChIInChI=1S/C21H14F4N4O2S/c22-15-3-1-4-16(10-15)29(32(30)17-5-2-8-26-11-17)12-14-7-6-13(9-18(14)23)20-27-28-21(31-20)19(24)25/h1-11,19H,12H2
InChIKeyNJCJULLOGZANIY-UHFFFAOYSA-N
MW462.43 g/mol
LogP5.08
Rot. Bonds7

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide (PubChem CID 145238907) has the molecular formula C21H14F4N4O2S and a molecular weight of 462.43 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide
PubChem CID145238907
Molecular FormulaC21H14F4N4O2S
Molecular Weight462.43 g/mol
Exact Mass462.08
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide
SMILESO=S(c1cccnc1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(F)c1
InChIInChI=1S/C21H14F4N4O2S/c22-15-3-1-4-16(10-15)29(32(30)17-5-2-8-26-11-17)12-14-7-6-13(9-18(14)23)20-27-28-21(31-20)19(24)25/h1-11,19H,12H2
InChIKeyNJCJULLOGZANIY-UHFFFAOYSA-N
XLogP5.08
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpyridine-3-sulfinamide
CID 145239040
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)methanesulfonamide
CID 126507804
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2,3-dihydro-1,3-benzoxazol-6-yl)methanesulfinamide
CID 145238948
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylhydroxylamine
CID 126545799
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide
CID 160662662
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(1-oxo-1,4-thiazinan-4-yl)-N-phenylethanesulfinamide
CID 171513897
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 140895045
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-ethylsulfanyl-N-(3-fluorophenyl)azetidine-3-carboxamide
CID 134568623
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide
CID 126508872
tert-butyl 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl-(3-fluorophenyl)carbamoyl]azetidine-1-carboxylate
CID 126544327
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(4-methylpiperazin-1-yl)ethanesulfinamide
CID 145239246
3-(2-chloroethyl)-1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-phenylurea
CID 140894641

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)pyridine-3-sulfinamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide (CID 145238907) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide is O=S(c1cccnc1)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)pyridine-3-sulfinamide?
The InChIKey is NJCJULLOGZANIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2S/c22-15-3-1-4-16(10-15)29(32(30)17-5-2-8-26-11-17)12-14-7-6-13(9-18(14)23)20-27-28-21(31-20)19(24)25/h1-11,19H,12H2.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide has a molecular weight of 462.43 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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)pyridine-3-sulfinamide is sourced from PubChem (CID 145238907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).