N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide

C19H13F2N3O3S2 — CID 50821260

IUPACN-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C19H13F2N3O3S2/c1-11-17(29(25,26)24-15-8-3-2-7-14(15)21)10-16(28-11)19-22-18(23-27-19)12-5-4-6-13(20)9-12/h2-10,24H,1H3
InChIKeyDCZJUZDQUPHPFN-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.85
Rot. Bonds5

About N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide

N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide (PubChem CID 50821260) has the molecular formula C19H13F2N3O3S2 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
PubChem CID50821260
Molecular FormulaC19H13F2N3O3S2
Molecular Weight433.46 g/mol
Exact Mass433.04
IUPAC NameN-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C19H13F2N3O3S2/c1-11-17(29(25,26)24-15-8-3-2-7-14(15)21)10-16(28-11)19-22-18(23-27-19)12-5-4-6-13(20)9-12/h2-10,24H,1H3
InChIKeyDCZJUZDQUPHPFN-UHFFFAOYSA-N
XLogP4.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821747
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 50821175
N-(4-ethoxyphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821332
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479
N,N-diethyl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821371
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 53079363
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821350
N-[(4-fluorophenyl)methyl]-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821963
N-(2-fluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079461
N-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821998
N-(3,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821726
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide (CID 50821260) is N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide is Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide?
The InChIKey is DCZJUZDQUPHPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3S2/c1-11-17(29(25,26)24-15-8-3-2-7-14(15)21)10-16(28-11)19-22-18(23-27-19)12-5-4-6-13(20)9-12/h2-10,24H,1H3.
What are the key properties of N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide?
N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide has a molecular weight of 433.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 50821260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).