[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate

C23H18ClN3O6S — CID 16619794

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H18ClN3O6S/c1-31-17-10-12-18(13-11-17)34(29,30)27-20-5-3-2-4-19(20)23(28)32-14-21-25-26-22(33-21)15-6-8-16(24)9-7-15/h2-13,27H,14H2,1H3
InChIKeyQGCSFNVKEZHHGF-UHFFFAOYSA-N
MW499.93 g/mol
LogP4.56
Rot. Bonds8

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 16619794) has the molecular formula C23H18ClN3O6S and a molecular weight of 499.93 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID16619794
Molecular FormulaC23H18ClN3O6S
Molecular Weight499.93 g/mol
Exact Mass499.06
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H18ClN3O6S/c1-31-17-10-12-18(13-11-17)34(29,30)27-20-5-3-2-4-19(20)23(28)32-14-21-25-26-22(33-21)15-6-8-16(24)9-7-15/h2-13,27H,14H2,1H3
InChIKeyQGCSFNVKEZHHGF-UHFFFAOYSA-N
XLogP4.56
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.93
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221026
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate
CID 18280192
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylbenzoate
CID 8891104
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(furan-2-ylmethylamino)benzoate
CID 16592309
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321964
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041218
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylbenzoate
CID 7968212
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2637800
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510820

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 16619794) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is QGCSFNVKEZHHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O6S/c1-31-17-10-12-18(13-11-17)34(29,30)27-20-5-3-2-4-19(20)23(28)32-14-21-25-26-22(33-21)15-6-8-16(24)9-7-15/h2-13,27H,14H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 499.93 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16619794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).