N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide

C16H12F3N5O4S — CID 155708497

IUPACN-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide
SMILESCN(CC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccnnc1
InChIInChI=1S/C16H12F3N5O4S/c1-24(29(26,27)12-6-7-20-21-8-12)9-13(25)10-2-4-11(5-3-10)14-22-15(28-23-14)16(17,18)19/h2-8H,9H2,1H3
InChIKeyGNMRZKVSRFOABP-UHFFFAOYSA-N
MW427.36 g/mol
LogP2.05
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide

N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide (PubChem CID 155708497) has the molecular formula C16H12F3N5O4S and a molecular weight of 427.36 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide
PubChem CID155708497
Molecular FormulaC16H12F3N5O4S
Molecular Weight427.36 g/mol
Exact Mass427.06
IUPAC NameN-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide
SMILESCN(CC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccnnc1
InChIInChI=1S/C16H12F3N5O4S/c1-24(29(26,27)12-6-7-20-21-8-12)9-13(25)10-2-4-11(5-3-10)14-22-15(28-23-14)16(17,18)19/h2-8H,9H2,1H3
InChIKeyGNMRZKVSRFOABP-UHFFFAOYSA-N
XLogP2.05
TPSA119.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155193001
N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155192728
N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370269
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340
3-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155192835
N-(2-hydroxyethyl)-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230955
N-[2-(dimethylamino)ethyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71231062
3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370222
N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99807236
N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 155192602
2-benzylsulfonyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193335
1,2-oxazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 150181087

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide (CID 155708497) is N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide is CN(CC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccnnc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide?
The InChIKey is GNMRZKVSRFOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O4S/c1-24(29(26,27)12-6-7-20-21-8-12)9-13(25)10-2-4-11(5-3-10)14-22-15(28-23-14)16(17,18)19/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide?
N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide has a molecular weight of 427.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide is sourced from PubChem (CID 155708497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).