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

C19H18F3N3O3S — CID 122494868

IUPAC3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCCCc1nnc(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)o1
InChIInChI=1S/C19H18F3N3O3S/c1-2-3-11-17-23-24-18(28-17)13-7-6-8-14(12-13)29(26,27)25-16-10-5-4-9-15(16)19(20,21)22/h4-10,12,25H,2-3,11H2,1H3
InChIKeyACUCHQXWTKKYTL-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.90
Rot. Bonds7

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

3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 122494868) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID122494868
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC Name3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCCCc1nnc(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)o1
InChIInChI=1S/C19H18F3N3O3S/c1-2-3-11-17-23-24-18(28-17)13-7-6-8-14(12-13)29(26,27)25-16-10-5-4-9-15(16)19(20,21)22/h4-10,12,25H,2-3,11H2,1H3
InChIKeyACUCHQXWTKKYTL-UHFFFAOYSA-N
XLogP4.90
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455356
3-(5-pentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382298
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110651760
N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640821
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 126819592
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55039506
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136902
1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 174529363

Frequently Asked Questions

What is the IUPAC name of 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 122494868) is 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is CCCCc1nnc(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)o1.
What is the InChIKey of 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ACUCHQXWTKKYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-2-3-11-17-23-24-18(28-17)13-7-6-8-14(12-13)29(26,27)25-16-10-5-4-9-15(16)19(20,21)22/h4-10,12,25H,2-3,11H2,1H3.
What are the key properties of 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 425.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122494868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).