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

C17H25N5O3S — CID 29473914

IUPACN,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H25N5O3S/c1-3-21(4-2)26(23,24)22-12-10-20(11-13-22)14-16-18-17(19-25-16)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKeyORRJFBVHUHNVFD-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.44
Rot. Bonds7

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

N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide (PubChem CID 29473914) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide
PubChem CID29473914
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H25N5O3S/c1-3-21(4-2)26(23,24)22-12-10-20(11-13-22)14-16-18-17(19-25-16)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKeyORRJFBVHUHNVFD-UHFFFAOYSA-N
XLogP1.44
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide (CID 29473914) is N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is ORRJFBVHUHNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-3-21(4-2)26(23,24)22-12-10-20(11-13-22)14-16-18-17(19-25-16)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 29473914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).