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

C14H10F3N3O3S2 — CID 90607798

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(-c2sccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H10F3N3O3S2/c1-8-18-13(23-19-8)12-11(6-7-24-12)20-25(21,22)10-4-2-9(3-5-10)14(15,16)17/h2-7,20H,1H3
InChIKeyBKDOPCHCCCLYKK-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.93
Rot. Bonds4

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90607798) has the molecular formula C14H10F3N3O3S2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90607798
Molecular FormulaC14H10F3N3O3S2
Molecular Weight389.38 g/mol
Exact Mass389.01
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(-c2sccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H10F3N3O3S2/c1-8-18-13(23-19-8)12-11(6-7-24-12)20-25(21,22)10-4-2-9(3-5-10)14(15,16)17/h2-7,20H,1H3
InChIKeyBKDOPCHCCCLYKK-UHFFFAOYSA-N
XLogP3.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90607773
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608190
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90607785
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885
4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608180
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate
CID 90608202
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607660
1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607709
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 90607798) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide is Cc1noc(-c2sccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BKDOPCHCCCLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S2/c1-8-18-13(23-19-8)12-11(6-7-24-12)20-25(21,22)10-4-2-9(3-5-10)14(15,16)17/h2-7,20H,1H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 389.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90607798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).