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

C11H10F3N3O3S — CID 71230885

IUPACN,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H10F3N3O3S/c1-17(2)21(18,19)8-5-3-7(4-6-8)9-15-10(20-16-9)11(12,13)14/h3-6H,1-2H3
InChIKeyBBWXDEFVCIBKHE-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.01
Rot. Bonds3

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

N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 71230885) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID71230885
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC NameN,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H10F3N3O3S/c1-17(2)21(18,19)8-5-3-7(4-6-8)9-15-10(20-16-9)11(12,13)14/h3-6H,1-2H3
InChIKeyBBWXDEFVCIBKHE-UHFFFAOYSA-N
XLogP2.01
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 71230885) is N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is BBWXDEFVCIBKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-17(2)21(18,19)8-5-3-7(4-6-8)9-15-10(20-16-9)11(12,13)14/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 321.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71230885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).