(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate

C23H18ClN3O5S — CID 2415028

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H18ClN3O5S/c24-19-12-11-18(13-20(19)33(29,30)25-14-16-7-3-1-4-8-16)23(28)31-15-21-26-27-22(32-21)17-9-5-2-6-10-17/h1-13,25H,14-15H2
InChIKeyDPRYNJXCQBGOHO-UHFFFAOYSA-N
MW483.93 g/mol
LogP4.23
Rot. Bonds8

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate (PubChem CID 2415028) has the molecular formula C23H18ClN3O5S and a molecular weight of 483.93 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate
PubChem CID2415028
Molecular FormulaC23H18ClN3O5S
Molecular Weight483.93 g/mol
Exact Mass483.07
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H18ClN3O5S/c24-19-12-11-18(13-20(19)33(29,30)25-14-16-7-3-1-4-8-16)23(28)31-15-21-26-27-22(32-21)17-9-5-2-6-10-17/h1-13,25H,14-15H2
InChIKeyDPRYNJXCQBGOHO-UHFFFAOYSA-N
XLogP4.23
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 155551712
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499151
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 2561822
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2998670
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate
CID 7909292
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521358
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521597
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 16533241
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 4550617
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 16280064
[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 16323670
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530472

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate (CID 2415028) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate is O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate?
The InChIKey is DPRYNJXCQBGOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O5S/c24-19-12-11-18(13-20(19)33(29,30)25-14-16-7-3-1-4-8-16)23(28)31-15-21-26-27-22(32-21)17-9-5-2-6-10-17/h1-13,25H,14-15H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate has a molecular weight of 483.93 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate is sourced from PubChem (CID 2415028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).