N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide

C16H14F3N5O3S — CID 165387764

IUPACN'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide
SMILESCN(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)c(-c2nnc(N)o2)c1
InChIInChI=1S/C16H14F3N5O3S/c1-24(23-28(25,26)11-5-3-2-4-6-11)10-7-8-13(16(17,18)19)12(9-10)14-21-22-15(20)27-14/h2-9,23H,1H3,(H2,20,22)
InChIKeyDRFDAILSQVPWJO-UHFFFAOYSA-N
MW413.38 g/mol
LogP2.67
Rot. Bonds5

About N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide

N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide (PubChem CID 165387764) has the molecular formula C16H14F3N5O3S and a molecular weight of 413.38 g/mol. Its IUPAC name is N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide
PubChem CID165387764
Molecular FormulaC16H14F3N5O3S
Molecular Weight413.38 g/mol
Exact Mass413.08
IUPAC NameN'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide
SMILESCN(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)c(-c2nnc(N)o2)c1
InChIInChI=1S/C16H14F3N5O3S/c1-24(23-28(25,26)11-5-3-2-4-6-11)10-7-8-13(16(17,18)19)12(9-10)14-21-22-15(20)27-14/h2-9,23H,1H3,(H2,20,22)
InChIKeyDRFDAILSQVPWJO-UHFFFAOYSA-N
XLogP2.67
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide (CID 165387764) is N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide is CN(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)c(-c2nnc(N)o2)c1.
What is the InChIKey of N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide?
The InChIKey is DRFDAILSQVPWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3S/c1-24(23-28(25,26)11-5-3-2-4-6-11)10-7-8-13(16(17,18)19)12(9-10)14-21-22-15(20)27-14/h2-9,23H,1H3,(H2,20,22).
What are the key properties of N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide?
N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide has a molecular weight of 413.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)phenyl]-N'-methylbenzenesulfonohydrazide is sourced from PubChem (CID 165387764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).