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

C16H12F3N3O3S — CID 46365646

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C16H12F3N3O3S/c1-10-20-15(21-25-10)11-4-2-7-14(8-11)26(23,24)22-13-6-3-5-12(9-13)16(17,18)19/h2-9,22H,1H3
InChIKeyDABDPXHISWNZIG-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.86
Rot. Bonds4

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 46365646) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID46365646
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C16H12F3N3O3S/c1-10-20-15(21-25-10)11-4-2-7-14(8-11)26(23,24)22-13-6-3-5-12(9-13)16(17,18)19/h2-9,22H,1H3
InChIKeyDABDPXHISWNZIG-UHFFFAOYSA-N
XLogP3.86
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042636
N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042625
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 138008041
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40804812
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 53095647
2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 166223413
N-[4,5-dichloro-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57383064
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 175184749

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 46365646) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1nc(-c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is DABDPXHISWNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c1-10-20-15(21-25-10)11-4-2-7-14(8-11)26(23,24)22-13-6-3-5-12(9-13)16(17,18)19/h2-9,22H,1H3.
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 383.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46365646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).