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

C17H10F3N3O4S — CID 166232405

IUPACN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H10F3N3O4S/c18-17(19,20)16-21-15(22-27-16)10-5-7-12(8-6-10)23-28(24,25)14-9-11-3-1-2-4-13(11)26-14/h1-9,23H
InChIKeyMMGTWNMFHBCFGV-UHFFFAOYSA-N
MW409.35 g/mol
LogP4.30
Rot. Bonds4

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

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 166232405) has the molecular formula C17H10F3N3O4S and a molecular weight of 409.35 g/mol. Its IUPAC name is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID166232405
Molecular FormulaC17H10F3N3O4S
Molecular Weight409.35 g/mol
Exact Mass409.03
IUPAC NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H10F3N3O4S/c18-17(19,20)16-21-15(22-27-16)10-5-7-12(8-6-10)23-28(24,25)14-9-11-3-1-2-4-13(11)26-14/h1-9,23H
InChIKeyMMGTWNMFHBCFGV-UHFFFAOYSA-N
XLogP4.30
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide
CID 166184474
N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 155962472
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 139383494
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370222
3-[4-[1-(benzenesulfonyl)azetidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461714
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]benzenesulfonamide
CID 156666693
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
N-(2-fluorophenyl)sulfonyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370186
N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
CID 123961076
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide
CID 156666698

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide (CID 166232405) is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is MMGTWNMFHBCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O4S/c18-17(19,20)16-21-15(22-27-16)10-5-7-12(8-6-10)23-28(24,25)14-9-11-3-1-2-4-13(11)26-14/h1-9,23H.
What are the key properties of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide?
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 409.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 166232405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).