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

C19H17FN4O5S — CID 2158907

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H17FN4O5S/c20-15-5-1-14(2-6-15)18-22-23-19(29-18)21-17(25)13-3-7-16(8-4-13)30(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H,21,23,25)
InChIKeyYWNFAMSUZKNDHO-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.15
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2158907) has the molecular formula C19H17FN4O5S and a molecular weight of 432.43 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2158907
Molecular FormulaC19H17FN4O5S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H17FN4O5S/c20-15-5-1-14(2-6-15)18-22-23-19(29-18)21-17(25)13-3-7-16(8-4-13)30(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H,21,23,25)
InChIKeyYWNFAMSUZKNDHO-UHFFFAOYSA-N
XLogP2.15
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3-methylpiperidin-1-yl)sulfonyl]benzamide
CID 3242438
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5098531
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2435548
4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158877
4-(N-methyl-N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 18560915
4-(4-morpholinylsulfonyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2057788
4-(azepan-1-ylsulfonyl)-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158895
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2158903
N-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158919
N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158935
4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3239504
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 3240736

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 2158907) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YWNFAMSUZKNDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O5S/c20-15-5-1-14(2-6-15)18-22-23-19(29-18)21-17(25)13-3-7-16(8-4-13)30(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H,21,23,25).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 432.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2158907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).