N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C14H8ClF3N4O3S — CID 167817452

IUPACN-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H8ClF3N4O3S/c15-10-4-2-1-3-9(10)12-20-13(21-25-12)22-26(23,24)8-5-6-11(19-7-8)14(16,17)18/h1-7H,(H,21,22)
InChIKeyCXSOGENNAZGCQV-UHFFFAOYSA-N
MW404.76 g/mol
LogP3.60
Rot. Bonds4

About N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 167817452) has the molecular formula C14H8ClF3N4O3S and a molecular weight of 404.76 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID167817452
Molecular FormulaC14H8ClF3N4O3S
Molecular Weight404.76 g/mol
Exact Mass404.00
IUPAC NameN-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H8ClF3N4O3S/c15-10-4-2-1-3-9(10)12-20-13(21-25-12)22-26(23,24)8-5-6-11(19-7-8)14(16,17)18/h1-7H,(H,21,22)
InChIKeyCXSOGENNAZGCQV-UHFFFAOYSA-N
XLogP3.60
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 167817452) is N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is CXSOGENNAZGCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O3S/c15-10-4-2-1-3-9(10)12-20-13(21-25-12)22-26(23,24)8-5-6-11(19-7-8)14(16,17)18/h1-7H,(H,21,22).
What are the key properties of N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 404.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 167817452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).