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

C19H19F3N6O3S — CID 126508360

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccnc1
InChIInChI=1S/C19H19F3N6O3S/c20-16-10-13(18-25-26-19(31-18)17(21)22)3-4-14(16)12-28(15-2-1-5-24-11-15)32(29,30)27-8-6-23-7-9-27/h1-5,10-11,17,23H,6-9,12H2
InChIKeySMZIGMZQDJBHEE-UHFFFAOYSA-N
MW468.46 g/mol
LogP2.36
Rot. Bonds7

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide (PubChem CID 126508360) has the molecular formula C19H19F3N6O3S and a molecular weight of 468.46 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide
PubChem CID126508360
Molecular FormulaC19H19F3N6O3S
Molecular Weight468.46 g/mol
Exact Mass468.12
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccnc1
InChIInChI=1S/C19H19F3N6O3S/c20-16-10-13(18-25-26-19(31-18)17(21)22)3-4-14(16)12-28(15-2-1-5-24-11-15)32(29,30)27-8-6-23-7-9-27/h1-5,10-11,17,23H,6-9,12H2
InChIKeySMZIGMZQDJBHEE-UHFFFAOYSA-N
XLogP2.36
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide (CID 126508360) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccnc1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
The InChIKey is SMZIGMZQDJBHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3S/c20-16-10-13(18-25-26-19(31-18)17(21)22)3-4-14(16)12-28(15-2-1-5-24-11-15)32(29,30)27-8-6-23-7-9-27/h1-5,10-11,17,23H,6-9,12H2.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-pyridin-3-ylpiperazine-1-sulfonamide has a molecular weight of 468.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyridin-3-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 126508360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).