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

C14H10F3N3O3S2 — CID 2809523

IUPACN-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1
InChIInChI=1S/C14H10F3N3O3S2/c15-14(16,17)10-5-3-9(4-6-10)13-19-11(23-20-13)8-18-25(21,22)12-2-1-7-24-12/h1-7,18H,8H2
InChIKeyPFRMFJTXSQOBCJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.30
Rot. Bonds5

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

N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 2809523) has the molecular formula C14H10F3N3O3S2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID2809523
Molecular FormulaC14H10F3N3O3S2
Molecular Weight389.38 g/mol
Exact Mass389.01
IUPAC NameN-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1
InChIInChI=1S/C14H10F3N3O3S2/c15-14(16,17)10-5-3-9(4-6-10)13-19-11(23-20-13)8-18-25(21,22)12-2-1-7-24-12/h1-7,18H,8H2
InChIKeyPFRMFJTXSQOBCJ-UHFFFAOYSA-N
XLogP3.30
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thiophene-2-carboxamide
CID 2809467
N-(4-fluorobenzyl)-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
CID 1508621
4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1247978
(5S)-5-[3-fluoro-5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222864
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 2992808
N-benzyl-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
CID 16188883
3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471570
4-pentyl-N-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide
CID 2809522
5-(2-methyl-1,3-thiazol-4-yl)-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 2809749
4-fluoro-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 2991018
5-{[(5-Chlorothiophen-2-yl)sulfonyl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 30849704
4-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-thienylsulfonyl)piperidine
CID 42585252

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (CID 2809523) is N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1.
What is the InChIKey of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is PFRMFJTXSQOBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S2/c15-14(16,17)10-5-3-9(4-6-10)13-19-11(23-20-13)8-18-25(21,22)12-2-1-7-24-12/h1-7,18H,8H2.
What are the key properties of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 389.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2809523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).