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

C18H13ClF3N3O4S — CID 155193001

IUPAC4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
SMILESCN(CC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF3N3O4S/c1-25(30(27,28)14-8-6-13(19)7-9-14)10-15(26)11-2-4-12(5-3-11)16-23-17(29-24-16)18(20,21)22/h2-9H,10H2,1H3
InChIKeyZTSIESLYCWBATR-UHFFFAOYSA-N
MW459.83 g/mol
LogP3.91
Rot. Bonds6

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

4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide (PubChem CID 155193001) has the molecular formula C18H13ClF3N3O4S and a molecular weight of 459.83 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
PubChem CID155193001
Molecular FormulaC18H13ClF3N3O4S
Molecular Weight459.83 g/mol
Exact Mass459.03
IUPAC Name4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
SMILESCN(CC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF3N3O4S/c1-25(30(27,28)14-8-6-13(19)7-9-14)10-15(26)11-2-4-12(5-3-11)16-23-17(29-24-16)18(20,21)22/h2-9H,10H2,1H3
InChIKeyZTSIESLYCWBATR-UHFFFAOYSA-N
XLogP3.91
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.83
LogP ≤ 53.91
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
N,3-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155192728
4-chloro-N-methyl-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597499
(4-chlorophenyl)-methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 155269165
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
2-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 159412298
3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370222
N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370269
imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 139383494
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide (CID 155193001) is 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide is CN(CC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is ZTSIESLYCWBATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O4S/c1-25(30(27,28)14-8-6-13(19)7-9-14)10-15(26)11-2-4-12(5-3-11)16-23-17(29-24-16)18(20,21)22/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide?
4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 459.83 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 155193001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).