2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C17H14FN3O5S — CID 18573264

IUPAC2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H14FN3O5S/c1-25-13-6-2-11(3-7-13)16-20-21-17(26-16)19-15(22)10-27(23,24)14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyDRQZJVQNHHAKNH-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 18573264) has the molecular formula C17H14FN3O5S and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID18573264
Molecular FormulaC17H14FN3O5S
Molecular Weight391.38 g/mol
Exact Mass391.06
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H14FN3O5S/c1-25-13-6-2-11(3-7-13)16-20-21-17(26-16)19-15(22)10-27(23,24)14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyDRQZJVQNHHAKNH-UHFFFAOYSA-N
XLogP2.30
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 18573264) is 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is COc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is DRQZJVQNHHAKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5S/c1-25-13-6-2-11(3-7-13)16-20-21-17(26-16)19-15(22)10-27(23,24)14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 391.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 18573264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).