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

C19H13ClFN3O3S2 — CID 53126834

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C19H13ClFN3O3S2/c20-15-5-3-13(4-6-15)18-23-19(27-24-18)14-9-17(28-11-14)29(25,26)22-10-12-1-7-16(21)8-2-12/h1-9,11,22H,10H2
InChIKeyOXNYBWLWBFNIQW-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.74
Rot. Bonds6

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53126834) has the molecular formula C19H13ClFN3O3S2 and a molecular weight of 449.92 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID53126834
Molecular FormulaC19H13ClFN3O3S2
Molecular Weight449.92 g/mol
Exact Mass449.01
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C19H13ClFN3O3S2/c20-15-5-3-13(4-6-15)18-23-19(27-24-18)14-9-17(28-11-14)29(25,26)22-10-12-1-7-16(21)8-2-12/h1-9,11,22H,10H2
InChIKeyOXNYBWLWBFNIQW-UHFFFAOYSA-N
XLogP4.74
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53126848
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53126909
2-bromo-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 86959824
N-[(4-fluorophenyl)methyl]-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821963
N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131046
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380261
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 99705057
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127292

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 53126834) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is OXNYBWLWBFNIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O3S2/c20-15-5-3-13(4-6-15)18-23-19(27-24-18)14-9-17(28-11-14)29(25,26)22-10-12-1-7-16(21)8-2-12/h1-9,11,22H,10H2.
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 449.92 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53126834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).