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

C20H20F3N5O3S — CID 126508931

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccccc1
InChIInChI=1S/C20H20F3N5O3S/c21-17-12-14(19-25-26-20(31-19)18(22)23)6-7-15(17)13-28(16-4-2-1-3-5-16)32(29,30)27-10-8-24-9-11-27/h1-7,12,18,24H,8-11,13H2
InChIKeyZYZHCWURMLIAJF-UHFFFAOYSA-N
MW467.47 g/mol
LogP2.97
Rot. Bonds7

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide (PubChem CID 126508931) has the molecular formula C20H20F3N5O3S and a molecular weight of 467.47 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide
PubChem CID126508931
Molecular FormulaC20H20F3N5O3S
Molecular Weight467.47 g/mol
Exact Mass467.12
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccccc1
InChIInChI=1S/C20H20F3N5O3S/c21-17-12-14(19-25-26-20(31-19)18(22)23)6-7-15(17)13-28(16-4-2-1-3-5-16)32(29,30)27-10-8-24-9-11-27/h1-7,12,18,24H,8-11,13H2
InChIKeyZYZHCWURMLIAJF-UHFFFAOYSA-N
XLogP2.97
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide (CID 126508931) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccccc1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
The InChIKey is ZYZHCWURMLIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3S/c21-17-12-14(19-25-26-20(31-19)18(22)23)6-7-15(17)13-28(16-4-2-1-3-5-16)32(29,30)27-10-8-24-9-11-27/h1-7,12,18,24H,8-11,13H2.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide has a molecular weight of 467.47 g/mol, XLogP of 2.97, 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-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 126508931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).