N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide

C16H11Cl2N3O4S — CID 44921726

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O4S/c17-10-6-7-12(13(18)8-10)15(22)19-16-21-20-14(25-16)9-26(23,24)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22)
InChIKeyVNJKCKULJJAQGS-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.60
Rot. Bonds5

About N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide (PubChem CID 44921726) has the molecular formula C16H11Cl2N3O4S and a molecular weight of 412.25 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
PubChem CID44921726
Molecular FormulaC16H11Cl2N3O4S
Molecular Weight412.25 g/mol
Exact Mass410.98
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O4S/c17-10-6-7-12(13(18)8-10)15(22)19-16-21-20-14(25-16)9-26(23,24)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22)
InChIKeyVNJKCKULJJAQGS-UHFFFAOYSA-N
XLogP3.60
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2,5-dichlorobenzamide
CID 44921886
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-bromobenzamide
CID 44921722
2,4-dichloro-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977959
methyl 4-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 44921757
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 44921813
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 44921766
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576963
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 44921756
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977508
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide (CID 44921726) is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide is O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
The InChIKey is VNJKCKULJJAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O4S/c17-10-6-7-12(13(18)8-10)15(22)19-16-21-20-14(25-16)9-26(23,24)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide has a molecular weight of 412.25 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 44921726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).