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

C17H13F2N3O4S — CID 7254387

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H13F2N3O4S/c18-12-3-1-11(2-4-12)16-21-22-17(26-16)20-15(23)9-10-27(24,25)14-7-5-13(19)6-8-14/h1-8H,9-10H2,(H,20,22,23)
InChIKeyAPECXPMPWOZHNK-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.82
Rot. Bonds6

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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 7254387) has the molecular formula C17H13F2N3O4S and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID7254387
Molecular FormulaC17H13F2N3O4S
Molecular Weight393.37 g/mol
Exact Mass393.06
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H13F2N3O4S/c18-12-3-1-11(2-4-12)16-21-22-17(26-16)20-15(23)9-10-27(24,25)14-7-5-13(19)6-8-14/h1-8H,9-10H2,(H,20,22,23)
InChIKeyAPECXPMPWOZHNK-UHFFFAOYSA-N
XLogP2.82
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide (CID 7254387) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is APECXPMPWOZHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4S/c18-12-3-1-11(2-4-12)16-21-22-17(26-16)20-15(23)9-10-27(24,25)14-7-5-13(19)6-8-14/h1-8H,9-10H2,(H,20,22,23).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 393.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 7254387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).