N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide

C19H16F3N3O4S — CID 155192728

IUPACN,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C19H16F3N3O4S/c1-12-4-3-5-15(10-12)30(27,28)25(2)11-16(26)13-6-8-14(9-7-13)17-23-18(29-24-17)19(20,21)22/h3-10H,11H2,1-2H3
InChIKeyHWXFSXBZIRVARW-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.57
Rot. Bonds6

About N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide

N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide (PubChem CID 155192728) has the molecular formula C19H16F3N3O4S and a molecular weight of 439.42 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
PubChem CID155192728
Molecular FormulaC19H16F3N3O4S
Molecular Weight439.42 g/mol
Exact Mass439.08
IUPAC NameN,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C19H16F3N3O4S/c1-12-4-3-5-15(10-12)30(27,28)25(2)11-16(26)13-6-8-14(9-7-13)17-23-18(29-24-17)19(20,21)22/h3-10H,11H2,1-2H3
InChIKeyHWXFSXBZIRVARW-UHFFFAOYSA-N
XLogP3.57
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyridazine-4-sulfonamide
CID 155708497
4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155193001
3-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155192835
3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370222
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 160570810
N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370269
2-benzylsulfonyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193335
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340
N-(3-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139369929
N-[2-(dimethylamino)ethyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71231062
N-(2-hydroxyethyl)-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230955
2-(2,6-dichlorophenyl)sulfanyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193360

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide (CID 155192728) is N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)CC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1.
What is the InChIKey of N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is HWXFSXBZIRVARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S/c1-12-4-3-5-15(10-12)30(27,28)25(2)11-16(26)13-6-8-14(9-7-13)17-23-18(29-24-17)19(20,21)22/h3-10H,11H2,1-2H3.
What are the key properties of N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 439.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 155192728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).