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

C16H11ClFN3O4S — CID 7254492

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H11ClFN3O4S/c17-13-4-2-1-3-12(13)15-20-21-16(25-15)19-14(22)9-26(23,24)11-7-5-10(18)6-8-11/h1-8H,9H2,(H,19,21,22)
InChIKeyFPAVCXNBOZZRSK-UHFFFAOYSA-N
MW395.80 g/mol
LogP2.94
Rot. Bonds5

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

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 7254492) has the molecular formula C16H11ClFN3O4S and a molecular weight of 395.80 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID7254492
Molecular FormulaC16H11ClFN3O4S
Molecular Weight395.80 g/mol
Exact Mass395.01
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H11ClFN3O4S/c17-13-4-2-1-3-12(13)15-20-21-16(25-15)19-14(22)9-26(23,24)11-7-5-10(18)6-8-11/h1-8H,9H2,(H,19,21,22)
InChIKeyFPAVCXNBOZZRSK-UHFFFAOYSA-N
XLogP2.94
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 52.94
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)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide (CID 7254492) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is FPAVCXNBOZZRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O4S/c17-13-4-2-1-3-12(13)15-20-21-16(25-15)19-14(22)9-26(23,24)11-7-5-10(18)6-8-11/h1-8H,9H2,(H,19,21,22).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 395.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 7254492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).