N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide

C13H14F3N3O3S — CID 146149339

IUPACN-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESCc1nc(CS(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C13H14F3N3O3S/c1-9-17-12(18-22-9)8-23(20,21)19(2)7-10-4-3-5-11(6-10)13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyOTMPMEWOQKAOAV-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.36
Rot. Bonds5

About N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide

N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide (PubChem CID 146149339) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide
PubChem CID146149339
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC NameN-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESCc1nc(CS(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C13H14F3N3O3S/c1-9-17-12(18-22-9)8-23(20,21)19(2)7-10-4-3-5-11(6-10)13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyOTMPMEWOQKAOAV-UHFFFAOYSA-N
XLogP2.36
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetate
CID 19837767
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 119991751
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
CID 15118329
2-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethyl]-1,3,4-oxadiazole
CID 47069271
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078816
N-methyl-N-[(2-methylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86989412
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
2-[(4-bromophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 112837529

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide (CID 146149339) is N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide is Cc1nc(CS(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is OTMPMEWOQKAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-9-17-12(18-22-9)8-23(20,21)19(2)7-10-4-3-5-11(6-10)13(14,15)16/h3-6H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 146149339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).